2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride

C16H24Cl2N2O — CID 119488068

IUPAC2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCNC1CCCN(C(=O)C(C)(C)c2cccc(Cl)c2)C1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-16(2,12-6-4-7-13(17)10-12)15(20)19-9-5-8-14(11-19)18-3;/h4,6-7,10,14,18H,5,8-9,11H2,1-3H3;1H
InChIKeyNLBBFBULASZKEI-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.25
Rot. Bonds3

About 2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride

2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119488068) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID119488068
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCNC1CCCN(C(=O)C(C)(C)c2cccc(Cl)c2)C1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-16(2,12-6-4-7-13(17)10-12)15(20)19-9-5-8-14(11-19)18-3;/h4,6-7,10,14,18H,5,8-9,11H2,1-3H3;1H
InChIKeyNLBBFBULASZKEI-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one
CID 110436627
2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119400424
2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119492236
2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535582
[2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489930
2-(3-fluorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119560156
(3S,4S)-1-[2-(3-chlorophenyl)-2-methylpropanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120951924
2-[(3-chlorophenyl)methylsulfanyl]-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119488406
N-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide
CID 60622118
1-(3-aminopiperidin-1-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]propan-1-one
CID 119379948
2-(4-chlorophenyl)-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119394762
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride (CID 119488068) is 2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride is CNC1CCCN(C(=O)C(C)(C)c2cccc(Cl)c2)C1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is NLBBFBULASZKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.ClH/c1-16(2,12-6-4-7-13(17)10-12)15(20)19-9-5-8-14(11-19)18-3;/h4,6-7,10,14,18H,5,8-9,11H2,1-3H3;1H.
What are the key properties of 2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119488068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).