2-(3-piperidin-1-ylphenyl)acetic acid

C13H17NO2 — CID 12547509

IUPAC2-(3-piperidin-1-ylphenyl)acetic acid
SMILESO=C(O)Cc1cccc(N2CCCCC2)c1
InChIInChI=1S/C13H17NO2/c15-13(16)10-11-5-4-6-12(9-11)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2,(H,15,16)
InChIKeyHSVFCSUZDDBOJW-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.30
Rot. Bonds3

About 2-(3-piperidin-1-ylphenyl)acetic acid

2-(3-piperidin-1-ylphenyl)acetic acid (PubChem CID 12547509) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-piperidin-1-ylphenyl)acetic acid
PubChem CID12547509
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(3-piperidin-1-ylphenyl)acetic acid
SMILESO=C(O)Cc1cccc(N2CCCCC2)c1
InChIInChI=1S/C13H17NO2/c15-13(16)10-11-5-4-6-12(9-11)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2,(H,15,16)
InChIKeyHSVFCSUZDDBOJW-UHFFFAOYSA-N
XLogP2.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Piperidin-1-yl)benzoic acid
CID 764599
4-(4-Methylpiperazin-1-yl)benzoic acid
CID 736532
Hydrocinnamic acid, m-(bis(2-chloroethyl)amino)-
CID 20246
4-(4-Methyl-1-piperidinyl)benzoic acid
CID 654809
4-Methyl-2-[5-(2-propyl-piperidin-1-yl)-4'-trifluoromethyl-biphenyl-3-yl]-pentanoic acid
CID 25267979
4-Methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)piperidin-1-yl]phenyl]pentanoic acid
CID 25267982
Acetic acid, 4-piperidinophenyl-
CID 38363
Methyl(4-piperidinophenyl)acetic acid
CID 213515
Butyric acid, 2-(3-(N-ethylacetamido)-2,4,6-triiodophenyl)-
CID 31822
3-(Piperidin-1-yl)benzoic acid
CID 2795552
4-N,N-dimethylaminophenylacetic acid
CID 152203
Hydrocinnamic acid, m-(bis(2-fluoroethyl)amino)-
CID 14376

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylphenyl)acetic acid?
The IUPAC name of 2-(3-piperidin-1-ylphenyl)acetic acid (CID 12547509) is 2-(3-piperidin-1-ylphenyl)acetic acid.
What is the SMILES notation for 2-(3-piperidin-1-ylphenyl)acetic acid?
The canonical SMILES for 2-(3-piperidin-1-ylphenyl)acetic acid is O=C(O)Cc1cccc(N2CCCCC2)c1.
What is the InChIKey of 2-(3-piperidin-1-ylphenyl)acetic acid?
The InChIKey is HSVFCSUZDDBOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(16)10-11-5-4-6-12(9-11)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2,(H,15,16).
What are the key properties of 2-(3-piperidin-1-ylphenyl)acetic acid?
2-(3-piperidin-1-ylphenyl)acetic acid has a molecular weight of 219.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylphenyl)acetic acid is sourced from PubChem (CID 12547509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).