2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid

C13H16ClNO2 — CID 82131899

IUPAC2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2ccccc2Cl)CC1
InChIInChI=1S/C13H16ClNO2/c14-12-4-2-1-3-11(12)10-5-7-15(8-6-10)9-13(16)17/h1-4,10H,5-9H2,(H,16,17)
InChIKeyAIASFZWJUVCYNH-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.60
Rot. Bonds3

About 2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid

2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid (PubChem CID 82131899) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid
PubChem CID82131899
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2ccccc2Cl)CC1
InChIInChI=1S/C13H16ClNO2/c14-12-4-2-1-3-11(12)10-5-7-15(8-6-10)9-13(16)17/h1-4,10H,5-9H2,(H,16,17)
InChIKeyAIASFZWJUVCYNH-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(2-chlorophenyl)piperidin-1-yl]hexan-1-ol
CID 97355587
5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride
CID 117067038
4-(2-chlorophenyl)cyclohexane-1-carboxylic acid
CID 18597617
1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 91767867
2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid
CID 156798431
1-chloro-2-cyclohexylbenzene;pentan-3-one
CID 174383275
2-[4-(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetic acid
CID 56717514
2-[4-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)piperazin-1-yl]acetic acid
CID 43638765
2-(4-benzylazonan-1-yl)acetic acid
CID 69364417
1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole
CID 118386910
4-(2-chlorophenyl)cyclohexan-1-one
CID 19705258
N-(2-chlorophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]acetamide
CID 17498519

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid (CID 82131899) is 2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid is O=C(O)CN1CCC(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid?
The InChIKey is AIASFZWJUVCYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-12-4-2-1-3-11(12)10-5-7-15(8-6-10)9-13(16)17/h1-4,10H,5-9H2,(H,16,17).
What are the key properties of 2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid?
2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid has a molecular weight of 253.73 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 82131899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).