2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride

C14H20ClNO2 — CID 67449753

IUPAC2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
SMILESCl.O=C(O)C(CN1CCCCC1)c1ccccc1
InChIInChI=1S/C14H19NO2.ClH/c16-14(17)13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,17);1H
InChIKeyKLHPQWPWYNNQSW-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.76
Rot. Bonds4

About 2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride

2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride (PubChem CID 67449753) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
PubChem CID67449753
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
SMILESCl.O=C(O)C(CN1CCCCC1)c1ccccc1
InChIInChI=1S/C14H19NO2.ClH/c16-14(17)13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,17);1H
InChIKeyKLHPQWPWYNNQSW-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid
CID 82090555
1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride
CID 53347376
2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid
CID 19433570
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid
CID 64565025
3-(azepan-1-yl)-2-(4-methoxyphenyl)propanoic acid
CID 117245121
3-(azepan-1-yl)-2-(2-methylphenyl)propanoic acid
CID 117244237
3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid
CID 63073351
3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid
CID 64558858
3-(3-methylpyrrolidin-1-yl)-2-phenylpropanoic acid
CID 63067114
1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one
CID 117066232
3-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
CID 64566086

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride?
The IUPAC name of 2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride (CID 67449753) is 2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride is Cl.O=C(O)C(CN1CCCCC1)c1ccccc1.
What is the InChIKey of 2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride?
The InChIKey is KLHPQWPWYNNQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c16-14(17)13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,17);1H.
What are the key properties of 2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride?
2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 67449753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).