2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone

C15H21ClN2O — CID 108997960

IUPAC2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CNCc2ccccc2Cl)C1
InChIInChI=1S/C15H21ClN2O/c1-12-5-4-8-18(11-12)15(19)10-17-9-13-6-2-3-7-14(13)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3
InChIKeyYKXWZCREGPHUKJ-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.69
Rot. Bonds4

About 2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone

2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 108997960) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID108997960
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CNCc2ccccc2Cl)C1
InChIInChI=1S/C15H21ClN2O/c1-12-5-4-8-18(11-12)15(19)10-17-9-13-6-2-3-7-14(13)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3
InChIKeyYKXWZCREGPHUKJ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 78782428
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109136195
3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032840
N-(2,6-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952397
1-[(2-chlorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113183633
2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993727
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 110675399
2-(2-chlorophenyl)-1-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 94796002
3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488394

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone (CID 108997960) is 2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)CNCc2ccccc2Cl)C1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is YKXWZCREGPHUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-12-5-4-8-18(11-12)15(19)10-17-9-13-6-2-3-7-14(13)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone?
2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 280.80 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 108997960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).