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

C15H23ClN2 — CID 79707723

IUPAC1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCC1CCNCC1
InChIInChI=1S/C15H23ClN2/c1-12(10-13-2-4-15(16)5-3-13)18-11-14-6-8-17-9-7-14/h2-5,12,14,17-18H,6-11H2,1H3
InChIKeyGVWYCEGCFUPLOM-UHFFFAOYSA-N
MW266.82 g/mol
LogP2.86
Rot. Bonds5

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

1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine (PubChem CID 79707723) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine
PubChem CID79707723
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCC1CCNCC1
InChIInChI=1S/C15H23ClN2/c1-12(10-13-2-4-15(16)5-3-13)18-11-14-6-8-17-9-7-14/h2-5,12,14,17-18H,6-11H2,1H3
InChIKeyGVWYCEGCFUPLOM-UHFFFAOYSA-N
XLogP2.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(thian-4-ylmethyl)propan-2-amine
CID 103910777
N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine
CID 115708864
1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 103815876
(2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine
CID 97116075
1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 80555461
N-(cyclopentylmethyl)-1-phenylpropan-2-amine
CID 63012592
N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride
CID 160563522
(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol
CID 124515229
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115495018
(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81352222
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine
CID 43677577

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine (CID 79707723) is 1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine is CC(Cc1ccc(Cl)cc1)NCC1CCNCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine?
The InChIKey is GVWYCEGCFUPLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-12(10-13-2-4-15(16)5-3-13)18-11-14-6-8-17-9-7-14/h2-5,12,14,17-18H,6-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine?
1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine has a molecular weight of 266.82 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 79707723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).