2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride

C17H27ClN2O — CID 119786972

IUPAC2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCNCC(C)C(=O)N1CCCC(C)(c2ccccc2)C1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-14(12-18-3)16(20)19-11-7-10-17(2,13-19)15-8-5-4-6-9-15;/h4-6,8-9,14,18H,7,10-13H2,1-3H3;1H
InChIKeyWOPJGSQHDIJXJJ-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.84
Rot. Bonds4

About 2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride

2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride (PubChem CID 119786972) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
PubChem CID119786972
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCNCC(C)C(=O)N1CCCC(C)(c2ccccc2)C1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-14(12-18-3)16(20)19-11-7-10-17(2,13-19)15-8-5-4-6-9-15;/h4-6,8-9,14,18H,7,10-13H2,1-3H3;1H
InChIKeyWOPJGSQHDIJXJJ-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120989835
[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 97141328
2-amino-1-(3-methyl-3-phenylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 102560456
2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119791980
1-(4,4-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119803717
2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone
CID 119786969
4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride
CID 120592389
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119826867
(2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 154900068
3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide
CID 44555474
[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea
CID 119129647
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 79195732

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride (CID 119786972) is 2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride is CNCC(C)C(=O)N1CCCC(C)(c2ccccc2)C1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is WOPJGSQHDIJXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-14(12-18-3)16(20)19-11-7-10-17(2,13-19)15-8-5-4-6-9-15;/h4-6,8-9,14,18H,7,10-13H2,1-3H3;1H.
What are the key properties of 2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride?
2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119786972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).