1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine

C16H25ClN2 — CID 103815876

IUPAC1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)N(C)CC1CCNCC1
InChIInChI=1S/C16H25ClN2/c1-13(11-14-3-5-16(17)6-4-14)19(2)12-15-7-9-18-10-8-15/h3-6,13,15,18H,7-12H2,1-2H3
InChIKeyPFXADUGCTGXJFL-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.20
Rot. Bonds5

About 1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine

1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine (PubChem CID 103815876) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
PubChem CID103815876
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)N(C)CC1CCNCC1
InChIInChI=1S/C16H25ClN2/c1-13(11-14-3-5-16(17)6-4-14)19(2)12-15-7-9-18-10-8-15/h3-6,13,15,18H,7-12H2,1-2H3
InChIKeyPFXADUGCTGXJFL-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79707723
1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 114832441
N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 79707519
N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline
CID 115209862
4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol
CID 115496134
N-methyl-1-phenyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623701
(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120849776
N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine
CID 80558048
N-[(4-chlorophenyl)methyl]-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79703063
1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride
CID 120900789
N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 43570215

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine (CID 103815876) is 1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine is CC(Cc1ccc(Cl)cc1)N(C)CC1CCNCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine?
The InChIKey is PFXADUGCTGXJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-13(11-14-3-5-16(17)6-4-14)19(2)12-15-7-9-18-10-8-15/h3-6,13,15,18H,7-12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine?
1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine has a molecular weight of 280.84 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 103815876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).