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CAS 211247-53-9 1-(4-AMinophenyl)-4-piperidineethanol molecular structure lightbox
CAS RN: 211247-53-9

1-(4-AMinophenyl)-4-piperidineethanol

  • Product code: SSC-100829
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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 211247-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

211247-53-9 / 2-[1-(4-aminophenyl)piperidin-4-yl]ethanol

Standard CAS: 211247-53-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
211247-53-9
Multi CAS
No
Molecular Formula
C13H20N2O
Molecular Weight
220.310000
Exact Mass
220.157563
SMILES
C1CN(CCC1CCO)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H20N2O/c14-12-1-3-13(4-2-12)15-8-5-11(6-9-15)7-10-16/h1-4,11,16H,5-10,14H2
InChIKey
NOWRFBYPZGTKLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.49
TPSA
49.49

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
1.8
Consensus LogP
1.77
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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