CAS RN: 648921-37-3
3,3-DIMETHYL-PIPERIDIN-4-ONE HCL SALT
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS648921-37-3
- Purity/Analytical Methods: >99.0%
648921-37-3 / 3,3-dimethylpiperidin-4-one;hydrochloride
Basic Information
CAS
648921-37-3
Multi CAS
No
Molecular Formula
C7H14CLNO
Molecular Weight
163.640000
Exact Mass
163.076392
InChI
InChI=1S/C7H13NO.ClH/c1-7(2)5-8-4-3-6(7)9;/h8H,3-5H2,1-2H3;1H
InChIKey
YKKXZGNFWDQKGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.52
TPSA
29.1
LogP / Solubility
WLOGP
1
MLOGP
0.87
XLogP3
1
Consensus LogP
0.96
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Taurox SB
- CAS RN: 648922-41-2
- Product Code: starshine_CAS648922-41-2
- Purity/Analytical method: >99.0%
-
6-FLUORO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER
- CAS RN: 649550-97-0
- Product Code: SSC-174603
-
2,2,2-Trifluoro-1-(6-fluoro-3-indolyl)ethanone
- CAS RN: 649550-98-1
- Product Code: SSC-174604
-
-
3-(4-(hydroxymethyl)phenoxy)phthalonitrile
- CAS RN: 649553-08-2
- Product Code: starshine_CAS649553-08-2
- Purity/Analytical method: >99.0%
-
(S)-Amino-naphthalen-1-yl-acetic acid hydrochloride
- CAS RN: 649554-52-9
- Product Code: starshine_CAS649554-52-9
- Purity/Analytical method: >99.0%
