2-(2-phenylpiperidin-1-yl)acetic acid

C13H17NO2 — CID 23201321

IUPAC2-(2-phenylpiperidin-1-yl)acetic acid
SMILESO=C(O)CN1CCCCC1c1ccccc1
InChIInChI=1S/C13H17NO2/c15-13(16)10-14-9-5-4-8-12(14)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)
InChIKeyWOBNZQGNULTVNX-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.30
Rot. Bonds3

About 2-(2-phenylpiperidin-1-yl)acetic acid

2-(2-phenylpiperidin-1-yl)acetic acid (PubChem CID 23201321) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(2-phenylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-phenylpiperidin-1-yl)acetic acid
PubChem CID23201321
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(2-phenylpiperidin-1-yl)acetic acid
SMILESO=C(O)CN1CCCCC1c1ccccc1
InChIInChI=1S/C13H17NO2/c15-13(16)10-14-9-5-4-8-12(14)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)
InChIKeyWOBNZQGNULTVNX-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

2-[2-(4-chlorophenyl)azepan-1-yl]acetic acid
CID 119135905
2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid
CID 54069668
1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone
CID 18423529
1-ethyl-2-phenylazepane
CID 59678181
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
benzoic acid;3-(2-phenylpiperidin-1-yl)propan-1-ol;hydrochloride
CID 21153815
2-(2-phenylpiperidin-1-yl)ethanamine
CID 69157822
2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720
1-butyl-2-phenylpiperidine
CID 10036306
2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid
CID 24845352
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 41456404

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpiperidin-1-yl)acetic acid?
The IUPAC name of 2-(2-phenylpiperidin-1-yl)acetic acid (CID 23201321) is 2-(2-phenylpiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-phenylpiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(2-phenylpiperidin-1-yl)acetic acid is O=C(O)CN1CCCCC1c1ccccc1.
What is the InChIKey of 2-(2-phenylpiperidin-1-yl)acetic acid?
The InChIKey is WOBNZQGNULTVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(16)10-14-9-5-4-8-12(14)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16).
What are the key properties of 2-(2-phenylpiperidin-1-yl)acetic acid?
2-(2-phenylpiperidin-1-yl)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-(2-phenylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 23201321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).