(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone

C13H17ClN2O — CID 83728657

IUPAC(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2O/c1-15-12-6-8-16(9-7-12)13(17)10-2-4-11(14)5-3-10/h2-5,12,15H,6-9H2,1H3
InChIKeyPXPIUKARDDKSGZ-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.16
Rot. Bonds2

About (4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone

(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 83728657) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID83728657
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2O/c1-15-12-6-8-16(9-7-12)13(17)10-2-4-11(14)5-3-10/h2-5,12,15H,6-9H2,1H3
InChIKeyPXPIUKARDDKSGZ-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
(4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 90382644
1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110821055
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 89194471
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478
[4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119563784
(4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone
CID 97232471

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone (CID 83728657) is (4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is PXPIUKARDDKSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-15-12-6-8-16(9-7-12)13(17)10-2-4-11(14)5-3-10/h2-5,12,15H,6-9H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 252.74 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 83728657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).