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CAS 2055841-23-9 (piperidin-4-yl)methyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate hydrochloride molecular structure lightbox
CAS RN: 2055841-23-9

(piperidin-4-yl)methyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250109 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-096804
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2055841-23-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2055841-23-9 / piperidin-4-ylmethyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate;hydrochloride

Standard CAS: 2055841-23-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055841-23-9
Multi CAS
No
Molecular Formula
C13H24ClFN2O3
Molecular Weight
310.790000
Exact Mass
310.145949
SMILES
C1CNCCC1COC(=O)N2CCC(CC2)(CO)F.Cl
InChI
InChI=1S/C13H23FN2O3.ClH/c14-13(10-17)3-7-16(8-4-13)12(18)19-9-11-1-5-15-6-2-11;/h11,15,17H,1-10H2;1H
InChIKey
DDOJUWQDUNEFQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
75.92
TPSA
61.8

LogP / Solubility

WLOGP
1.34
MLOGP
1.19
XLogP3
1.34
Consensus LogP
1.29
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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