[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone

C17H23ClN2O — CID 106816549

IUPAC[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
SMILESCc1ccc(CNC2CCN(C(=O)C3CC3)CC2)cc1Cl
InChIInChI=1S/C17H23ClN2O/c1-12-2-3-13(10-16(12)18)11-19-15-6-8-20(9-7-15)17(21)14-4-5-14/h2-3,10,14-15,19H,4-9,11H2,1H3
InChIKeyIUHBUNOXWDGJJF-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.14
Rot. Bonds4

About [4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone

[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 106816549) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is [4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
PubChem CID106816549
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
SMILESCc1ccc(CNC2CCN(C(=O)C3CC3)CC2)cc1Cl
InChIInChI=1S/C17H23ClN2O/c1-12-2-3-13(10-16(12)18)11-19-15-6-8-20(9-7-15)17(21)14-4-5-14/h2-3,10,14-15,19H,4-9,11H2,1H3
InChIKeyIUHBUNOXWDGJJF-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone
CID 43434758
[4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 83232075
cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434746
cyclopropyl-[4-[(3,5-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 60789546
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434750
N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 106816263
cyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone
CID 56827303
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
cyclopropyl-[4-[(4-phenylphenyl)methylamino]piperidin-1-yl]methanone;hydrochloride
CID 56808716
cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone
CID 43747864
tert-butyl 3-[(3-chloro-4-methylphenyl)methylamino]azetidine-1-carboxylate
CID 107241821

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone (CID 106816549) is [4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone is Cc1ccc(CNC2CCN(C(=O)C3CC3)CC2)cc1Cl.
What is the InChIKey of [4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is IUHBUNOXWDGJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-12-2-3-13(10-16(12)18)11-19-15-6-8-20(9-7-15)17(21)14-4-5-14/h2-3,10,14-15,19H,4-9,11H2,1H3.
What are the key properties of [4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone?
[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 306.84 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 106816549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).