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

C13H16ClNO2 — CID 82298626

IUPAC2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H16ClNO2/c14-11-1-3-12(4-2-11)15-7-5-10(6-8-15)9-13(16)17/h1-4,10H,5-9H2,(H,16,17)
InChIKeyYWUNKWXEFKUMED-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.03
Rot. Bonds3

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

2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid (PubChem CID 82298626) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid
PubChem CID82298626
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H16ClNO2/c14-11-1-3-12(4-2-11)15-7-5-10(6-8-15)9-13(16)17/h1-4,10H,5-9H2,(H,16,17)
InChIKeyYWUNKWXEFKUMED-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 110905943
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 119843563
2-[1-(6-nitro-3-pyridinyl)piperidin-4-yl]acetic acid
CID 79608617
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
CID 78980399
2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid
CID 106821074
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 83981421
2-[1-(4-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017368
2-(1-pyridin-4-ylpiperidin-4-yl)acetyl chloride;hydrochloride
CID 22721805
lithium;3-[1-(4-chlorophenyl)piperidin-4-yl]propanoate;methyl 3-[1-(4-chlorophenyl)piperidin-4-yl]propanoate
CID 158079715
2-[1-[2-[(4-chlorophenyl)methylcarbamoylamino]acetyl]piperidin-4-yl]acetic acid
CID 119178610

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid (CID 82298626) is 2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid?
The InChIKey is YWUNKWXEFKUMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-11-1-3-12(4-2-11)15-7-5-10(6-8-15)9-13(16)17/h1-4,10H,5-9H2,(H,16,17).
What are the key properties of 2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid?
2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid has a molecular weight of 253.73 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 82298626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).