2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride

C18H31Cl2N3O — CID 23285051

IUPAC2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
SMILESCN(C)CC(=O)N1CCC(N(C)CCc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-19(2)15-18(22)21-13-10-17(11-14-21)20(3)12-9-16-7-5-4-6-8-16;;/h4-8,17H,9-15H2,1-3H3;2*1H
InChIKeyVHAVZTILXXHOSB-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.56
Rot. Bonds6

About 2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride

2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride (PubChem CID 23285051) has the molecular formula C18H31Cl2N3O and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
PubChem CID23285051
Molecular FormulaC18H31Cl2N3O
Molecular Weight376.37 g/mol
Exact Mass375.18
IUPAC Name2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
SMILESCN(C)CC(=O)N1CCC(N(C)CCc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-19(2)15-18(22)21-13-10-17(11-14-21)20(3)12-9-16-7-5-4-6-8-16;;/h4-8,17H,9-15H2,1-3H3;2*1H
InChIKeyVHAVZTILXXHOSB-UHFFFAOYSA-N
XLogP2.56
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285133
[4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 23284910
1,1,3-trimethyl-3-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 23285019
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 23284984
1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-methylsulfanylethanone
CID 45175382
5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 23284933
2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid
CID 154871241
(3R,4S)-1-[2-(dimethylamino)acetyl]-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid
CID 156584031
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
1-[2-[acetyl(2-phenylethyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120533930
1-[4-[benzyl(methyl)amino]piperidin-1-yl]-2-chloroethanone
CID 66567050
1-tert-butyl-1-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 70103958

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride (CID 23285051) is 2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride is CN(C)CC(=O)N1CCC(N(C)CCc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride?
The InChIKey is VHAVZTILXXHOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.2ClH/c1-19(2)15-18(22)21-13-10-17(11-14-21)20(3)12-9-16-7-5-4-6-8-16;;/h4-8,17H,9-15H2,1-3H3;2*1H.
What are the key properties of 2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride?
2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride has a molecular weight of 376.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 23285051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).