2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride

C20H32ClN3O — CID 120774986

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
SMILESCC1(C)CN(C(C(=O)N2CCCCC2)c2ccccc2)CCC1N.Cl
InChIInChI=1S/C20H31N3O.ClH/c1-20(2)15-23(14-11-17(20)21)18(16-9-5-3-6-10-16)19(24)22-12-7-4-8-13-22;/h3,5-6,9-10,17-18H,4,7-8,11-15,21H2,1-2H3;1H
InChIKeyKDZWVWYBONPJKV-UHFFFAOYSA-N
MW365.95 g/mol
LogP3.22
Rot. Bonds3

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride (PubChem CID 120774986) has the molecular formula C20H32ClN3O and a molecular weight of 365.95 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
PubChem CID120774986
Molecular FormulaC20H32ClN3O
Molecular Weight365.95 g/mol
Exact Mass365.22
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
SMILESCC1(C)CN(C(C(=O)N2CCCCC2)c2ccccc2)CCC1N.Cl
InChIInChI=1S/C20H31N3O.ClH/c1-20(2)15-23(14-11-17(20)21)18(16-9-5-3-6-10-16)19(24)22-12-7-4-8-13-22;/h3,5-6,9-10,17-18H,4,7-8,11-15,21H2,1-2H3;1H
InChIKeyKDZWVWYBONPJKV-UHFFFAOYSA-N
XLogP3.22
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.95
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
CID 120772241
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
N-methyl-N-[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)piperidin-4-yl]methanesulfonamide
CID 48736574
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride
CID 120818051
(3aS,6aR)-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120681342
1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide
CID 9134665
2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 119918296
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone
CID 120818052
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
(3S,4S)-4-methyl-1-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid
CID 122120914
2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 71845070

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride (CID 120774986) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride is CC1(C)CN(C(C(=O)N2CCCCC2)c2ccccc2)CCC1N.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride?
The InChIKey is KDZWVWYBONPJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O.ClH/c1-20(2)15-23(14-11-17(20)21)18(16-9-5-3-6-10-16)19(24)22-12-7-4-8-13-22;/h3,5-6,9-10,17-18H,4,7-8,11-15,21H2,1-2H3;1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride has a molecular weight of 365.95 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride is sourced from PubChem (CID 120774986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).