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

C15H21ClN2O — CID 119488394

IUPAC3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCCN(C(=O)CCc2ccccc2Cl)C1
InChIInChI=1S/C15H21ClN2O/c1-17-13-6-4-10-18(11-13)15(19)9-8-12-5-2-3-7-14(12)16/h2-3,5,7,13,17H,4,6,8-11H2,1H3
InChIKeyJCNCZSBZKODPSV-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.48
Rot. Bonds4

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

3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one (PubChem CID 119488394) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
PubChem CID119488394
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCCN(C(=O)CCc2ccccc2Cl)C1
InChIInChI=1S/C15H21ClN2O/c1-17-13-6-4-10-18(11-13)15(19)9-8-12-5-2-3-7-14(12)16/h2-3,5,7,13,17H,4,6,8-11H2,1H3
InChIKeyJCNCZSBZKODPSV-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575658
3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93032761
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one
CID 125146242
3-(2-ethoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490352
2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 80740895
methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate
CID 112733766
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488208
3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488419
2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 83749694
2-(2-chloro-6-fluorophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119493667
3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119492298

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one (CID 119488394) is 3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one is CNC1CCCN(C(=O)CCc2ccccc2Cl)C1.
What is the InChIKey of 3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
The InChIKey is JCNCZSBZKODPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-17-13-6-4-10-18(11-13)15(19)9-8-12-5-2-3-7-14(12)16/h2-3,5,7,13,17H,4,6,8-11H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one has a molecular weight of 280.80 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119488394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).