3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine

C14H21ClN2 — CID 82088060

IUPAC3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine
SMILESNCC(Cc1ccccc1Cl)N1CCCCC1
InChIInChI=1S/C14H21ClN2/c15-14-7-3-2-6-12(14)10-13(11-16)17-8-4-1-5-9-17/h2-3,6-7,13H,1,4-5,8-11,16H2
InChIKeyIXLSLNMZUHTFNR-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.70
Rot. Bonds4

About 3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine

3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine (PubChem CID 82088060) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine
PubChem CID82088060
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine
SMILESNCC(Cc1ccccc1Cl)N1CCCCC1
InChIInChI=1S/C14H21ClN2/c15-14-7-3-2-6-12(14)10-13(11-16)17-8-4-1-5-9-17/h2-3,6-7,13H,1,4-5,8-11,16H2
InChIKeyIXLSLNMZUHTFNR-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine
CID 82083725
3-(2-chlorophenyl)-2-pyrrolidin-1-ylpropanenitrile
CID 82083241
3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine
CID 82094586
3-pyridin-3-yl-2-pyrrolidin-1-ylpropan-1-amine
CID 82077199
(2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine
CID 129393023
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-[1-(2-methylphenyl)pentan-2-yl]piperidine
CID 176959434
2-(azepan-1-yl)-2-(2-chlorophenyl)ethanamine;oxalic acid
CID 45075213
3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine
CID 82107556
2-benzyl-3-(2-chlorophenyl)propan-1-amine
CID 62504845
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine
CID 62392801

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine (CID 82088060) is 3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine is NCC(Cc1ccccc1Cl)N1CCCCC1.
What is the InChIKey of 3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine?
The InChIKey is IXLSLNMZUHTFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c15-14-7-3-2-6-12(14)10-13(11-16)17-8-4-1-5-9-17/h2-3,6-7,13H,1,4-5,8-11,16H2.
What are the key properties of 3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine?
3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine has a molecular weight of 252.79 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 82088060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).