CAS RN: 103539-60-2
(s)-2-methyl-1-((s)-1-phenylethyl)piperidin-4-one
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.20251014 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS103539-60-2
- Purity/Analytical Methods: >99.0%
103539-60-2 / (2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one
2-methyl-1-(1-phenylethyl)piperidin-4-one | (S)-2-METHYL-1-((S)-1-PHENYLETHYL)PIPERIDINE-4-ONE | SCHEMBL4499497
Basic Information
CAS
103539-60-2
Multi CAS
Yes
Molecular Formula
C14H19NO
Molecular Weight
217.310000
Exact Mass
217.146664
SMILES
C[C@H]1CC(=O)CCN1[C@@H](C)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO/c1-11-10-14(16)8-9-15(11)12(2)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKey
XOGIRAQPVLKDBV-UHFFFAOYSA-N
Synonyms
2-methyl-1-(1-phenylethyl)piperidin-4-one
(S)-2-METHYL-1-((S)-1-PHENYLETHYL)PIPERIDINE-4-ONE
SCHEMBL4499497
XOGIRAQPVLKDBV-UHFFFAOYSA-N
2-Methyl-1-(1-phenyl-(1S)-ethyl)-(2S)-perhydro-4-pyridinone
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
65.27
TPSA
20.31
LogP / Solubility
WLOGP
2.8
MLOGP
2.47
XLogP3
2
Consensus LogP
2.42
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
(2S,4S)-2-Methylpiperidin-4-ol hydrochloride
- CAS RN: 103539-63-5
- Product Code: SSC-005117
-
-
Huperzine B
- CAS RN: 103548-82-9
- Product Code: starshine_CAS103548-82-9
- Purity/Analytical method: >99.0%
-
-
Methyl 2-Amino-4-methylpent-4-enoate
- CAS RN: 103550-87-4
- Product Code: starshine_CAS103550-87-4
- Purity/Analytical method: >99.0%
-
3,7-O-Diacetylpibanksin
- CAS RN: 103553-98-6
- Product Code: starshine_CAS103553-98-6
- Purity/Analytical method: >99.0%
.gif)
