3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid

C14H18ClNO2 — CID 64527224

IUPAC3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid
SMILESO=C(O)CC(c1ccccc1Cl)N1CCCCC1
InChIInChI=1S/C14H18ClNO2/c15-12-7-3-2-6-11(12)13(10-14(17)18)16-8-4-1-5-9-16/h2-3,6-7,13H,1,4-5,8-10H2,(H,17,18)
InChIKeyYXUYFFJYJFPWOH-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.34
Rot. Bonds4

About 3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid

3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid (PubChem CID 64527224) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid
PubChem CID64527224
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid
SMILESO=C(O)CC(c1ccccc1Cl)N1CCCCC1
InChIInChI=1S/C14H18ClNO2/c15-12-7-3-2-6-11(12)13(10-14(17)18)16-8-4-1-5-9-16/h2-3,6-7,13H,1,4-5,8-10H2,(H,17,18)
InChIKeyYXUYFFJYJFPWOH-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64526362
2-(azepan-1-yl)-2-(2-chlorophenyl)ethanamine;oxalic acid
CID 45075213
3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid
CID 64526440
3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 114866811
3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 64527940
3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301
3-(azepan-1-yl)-3-(3,4-dichlorophenyl)propanoic acid
CID 64526745
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984684
3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 64527801
3-(2-bromo-5-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 114078048
3-(1-benzothiophen-3-yl)-3-pyrrolidin-1-ylpropanoic acid
CID 64528537
3-(azepan-1-yl)-3-(3-chloro-4-fluorophenyl)propanoic acid
CID 81160650

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid?
The IUPAC name of 3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid (CID 64527224) is 3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid?
The canonical SMILES for 3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid is O=C(O)CC(c1ccccc1Cl)N1CCCCC1.
What is the InChIKey of 3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid?
The InChIKey is YXUYFFJYJFPWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-12-7-3-2-6-11(12)13(10-14(17)18)16-8-4-1-5-9-16/h2-3,6-7,13H,1,4-5,8-10H2,(H,17,18).
What are the key properties of 3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid?
3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid has a molecular weight of 267.76 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 64527224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).