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CAS 184968-88-5 1-Boc-4-piperidin-1-ylMethyl-piperidine molecular structure lightbox
CAS RN: 184968-88-5

1-Boc-4-piperidin-1-ylMethyl-piperidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250212 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS184968-88-5
  • Purity/Analytical Methods: >99.0%
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184968-88-5 / tert-butyl 4-(piperidin-1-ylmethyl)piperidine-1-carboxylate

Standard CAS: 184968-88-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
184968-88-5
Multi CAS
No
Molecular Formula
C16H30N2O2
Molecular Weight
282.420000
Exact Mass
282.230728
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CN2CCCCC2
InChI
InChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)18-11-7-14(8-12-18)13-17-9-5-4-6-10-17/h14H,4-13H2,1-3H3
InChIKey
IGENCGXZONWRMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.94
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
80.82
TPSA
32.78

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
2.7
Consensus LogP
2.86
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly 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)
-2.23

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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