CAS RN: 1217702-57-2
S-3-(AMINOMETHYL)-1-N-BOC-PIPERIDINE-HCl
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250125 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1217702-57-2
- Purity/Analytical Methods: >99.0%
1217702-57-2 / tert-butyl (3S)-3-(aminomethyl)piperidine-1-carboxylate;hydrochloride
Basic Information
CAS
1217702-57-2
Multi CAS
No
Molecular Formula
C11H23ClN2O2
Molecular Weight
250.760000
Exact Mass
250.144806
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](C1)CN.Cl
InChI
InChI=1S/C11H22N2O2.ClH/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13;/h9H,4-8,12H2,1-3H3;1H/t9-;/m0./s1
InChIKey
BHNNXYMAMJEVAA-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.83
TPSA
55.56
LogP / Solubility
WLOGP
2.01
MLOGP
1.78
XLogP3
2.01
Consensus LogP
1.93
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester, hydrochloride (1:1), (3S)-
- CAS RN: 1217702-80-1
- Product Code: SSC-024485
-
TRANS-4-PHENYLPYRROLIDINE-3-CARBOXYLIC ACID-HCL
- CAS RN: 1217702-99-2
- Product Code: SSC-024486
-
-
N-Acetyl-d3 Adamantamine
- CAS RN: 1217704-63-6
- Product Code: starshine_CAS1217704-63-6
- Purity/Analytical method: >99.0%
-
(S)-tert-Butyl 2-(diMethylcarbaMoyl)piperazine-1-carboxylate hydrochloride
- CAS RN: 1217706-03-0
- Product Code: starshine_CAS1217706-03-0
- Purity/Analytical method: >99.0%
-
(R)-2-(((9H-fluoren-9-yl)Methoxy)carbonylaMino)-2-(thiophen-3-yl)acetic acid
- CAS RN: 1217706-09-6
- Product Code: SSC-024488
