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CAS 1636890-01-1 ((3R,6R)-6-Methylpiperidin-3-yl)methanol hydrochloride molecular structure lightbox
CAS RN: 1636890-01-1

((3R,6R)-6-Methylpiperidin-3-yl)methanol hydrochloride

  • Product code: SSC-071091
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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 1636890-01-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1636890-01-1 / [(3R,6R)-6-methylpiperidin-3-yl]methanol;hydrochloride

Standard CAS: 1636890-01-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1636890-01-1
Multi CAS
No
Molecular Formula
C7H16ClNO
Molecular Weight
165.660000
Exact Mass
165.092042
SMILES
C[C@@H]1CC[C@H](CN1)CO.Cl
InChI
InChI=1S/C7H15NO.ClH/c1-6-2-3-7(5-9)4-8-6;/h6-9H,2-5H2,1H3;1H/t6-,7-;/m1./s1
InChIKey
VTNSDDLUAVIRTL-ZJLYAJKPSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.52
TPSA
32.26

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
XLogP3
0.79
Consensus LogP
0.76
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-3.17

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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