N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine

C17H25ClN2 — CID 115707064

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H25ClN2/c1-12-11-20(2)10-9-16(12)19-17(13-3-4-13)14-5-7-15(18)8-6-14/h5-8,12-13,16-17,19H,3-4,9-11H2,1-2H3
InChIKeyQAKVROMMVRNCKU-UHFFFAOYSA-N
MW292.85 g/mol
LogP3.72
Rot. Bonds4

About N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine

N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine (PubChem CID 115707064) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine
PubChem CID115707064
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H25ClN2/c1-12-11-20(2)10-9-16(12)19-17(13-3-4-13)14-5-7-15(18)8-6-14/h5-8,12-13,16-17,19H,3-4,9-11H2,1-2H3
InChIKeyQAKVROMMVRNCKU-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine
CID 43224358
N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115714676
N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115649937
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43792606
1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 115710203
(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 11172331
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
5-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107707305
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine
CID 43791325
N-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 43724333
1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 55185676

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine (CID 115707064) is N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine is CC1CN(C)CCC1NC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is QAKVROMMVRNCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-12-11-20(2)10-9-16(12)19-17(13-3-4-13)14-5-7-15(18)8-6-14/h5-8,12-13,16-17,19H,3-4,9-11H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine?
N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine has a molecular weight of 292.85 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115707064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).