1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one

C18H27ClN2O — CID 120818145

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C18H27ClN2O/c1-17(2,11-13-6-5-7-14(19)10-13)16(22)21-9-8-15(20)18(3,4)12-21/h5-7,10,15H,8-9,11-12,20H2,1-4H3
InChIKeyWJGVADXKZPAUMC-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.49
Rot. Bonds3

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one

1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one (PubChem CID 120818145) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one
PubChem CID120818145
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C18H27ClN2O/c1-17(2,11-13-6-5-7-14(19)10-13)16(22)21-9-8-15(20)18(3,4)12-21/h5-7,10,15H,8-9,11-12,20H2,1-4H3
InChIKeyWJGVADXKZPAUMC-UHFFFAOYSA-N
XLogP3.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2,2-dimethylpropan-1-one
CID 119635982
3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119645185
3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 126801904
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]ethanone;hydrochloride
CID 120819154
(3S,4S)-1-[3-(3-chlorophenyl)-2,2-dimethylpropanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950081
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
CID 120817946
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,4-dichlorophenyl)ethanone
CID 120818845
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 120818633
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
CID 115269770
N-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide
CID 166321620
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride
CID 120819968
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dichlorophenyl)methanone;hydrochloride
CID 120816240

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one (CID 120818145) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one is CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one?
The InChIKey is WJGVADXKZPAUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-17(2,11-13-6-5-7-14(19)10-13)16(22)21-9-8-15(20)18(3,4)12-21/h5-7,10,15H,8-9,11-12,20H2,1-4H3.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one has a molecular weight of 322.88 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 120818145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).