CAS RN: 1021910-91-7
4-(Piperidin-3-yl)butan-1-ol
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-003460
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1021910-91-7 / 4-piperidin-3-ylbutan-1-ol
4-(Piperidin-3-yl)butan-1-ol | 4-(3-Piperidyl)-1-butanol | 3-piperidinebutanol
Basic Information
CAS
1021910-91-7
Multi CAS
No
Molecular Formula
C9H19NO
Molecular Weight
157.250000
Exact Mass
157.146664
SMILES
C1CC(CNC1)CCCCO
InChI
InChI=1S/C9H19NO/c11-7-2-1-4-9-5-3-6-10-8-9/h9-11H,1-8H2
InChIKey
WBJCLHYKMKWCOQ-UHFFFAOYSA-N
Synonyms
4-(Piperidin-3-yl)butan-1-ol
4-(3-Piperidyl)-1-butanol
3-piperidinebutanol
MFCD23381096
4-piperidin-3-ylbutan-1-ol
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.53
TPSA
32.26
LogP / Solubility
WLOGP
1.15
MLOGP
1.01
XLogP3
0.9
Consensus LogP
1.02
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately 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)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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