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CAS 18700-72-6 rel-(2R,2’S)-2,2′-Bipiperidine molecular structure lightbox
CAS RN: 18700-72-6

rel-(2R,2’S)-2,2′-Bipiperidine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260410 25mg / 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
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18700-72-6 / (2R)-2-[(2S)-piperidin-2-yl]piperidine

rel-(2R,2'S)-2,2'-Bipiperidine | (2S)-2-[(2R)-piperidin-2-yl]piperidine | (2R,2'S)-2,2'-bipiperidine

Standard CAS: 18700-72-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
18700-72-6
Multi CAS
Yes
Molecular Formula
C10H20N2
Molecular Weight
168.280000
Exact Mass
168.162649
SMILES
C1CCNC(C1)C2CCCCN2
InChI
InChI=1S/C10H20N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h9-12H,1-8H2/t9-,10+
InChIKey
CLBJZAWCBRAMRZ-AOOOYVTPSA-N
Synonyms
rel-(2R,2'S)-2,2'-Bipiperidine (2S)-2-[(2R)-piperidin-2-yl]piperidine (2R,2'S)-2,2'-bipiperidine (2S,2'R)-2,2'-bipiperidine MFCD22395560

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.28
TPSA
24.06

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
1.2
Consensus LogP
1.19
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-2.84

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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