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CAS 1095010-44-8 Methyl 5-Hydroxypiperidine-3-carboxylate molecular structure lightbox
CAS RN: 1095010-44-8

Methyl 5-Hydroxypiperidine-3-carboxylate

  • Product code: SSC-010892
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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 1095010-44-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1095010-44-8 / methyl 5-hydroxypiperidine-3-carboxylate

METHYL 5-HYDROXYPIPERIDINE-3-CARBOXYLATE | MFCD11656767 | Methyl 5-Hydroxypiperidine-3-carboxylate

Standard CAS: 1095010-44-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1095010-44-8
Multi CAS
No
Molecular Formula
C7H13NO3
Molecular Weight
159.180000
Exact Mass
159.089543
SMILES
COC(=O)C1CC(CNC1)O
InChI
InChI=1S/C7H13NO3/c1-11-7(10)5-2-6(9)4-8-3-5/h5-6,8-9H,2-4H2,1H3
InChIKey
ZAUFCVXOKIPCKG-UHFFFAOYSA-N
Synonyms
METHYL 5-HYDROXYPIPERIDINE-3-CARBOXYLATE MFCD11656767 Methyl 5-Hydroxypiperidine-3-carboxylate methyl cis-5-hydroxypiperidine-3-carboxylate methyl (3S,5R)-5-hydroxypiperidine-3-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
39
TPSA
58.56

LogP / Solubility

WLOGP
-0.87
MLOGP
-0.77
XLogP3
-0.8
Consensus LogP
-0.81
Log S (ESOL)
-0.21
Class (ESOL)
Very soluble
Log S (Ali)
-0.24
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.09
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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