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

C14H19NO2 — CID 117027896

IUPAC2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid
SMILESCc1ccc(N2CCCCC2CC(=O)O)cc1
InChIInChI=1S/C14H19NO2/c1-11-5-7-12(8-6-11)15-9-3-2-4-13(15)10-14(16)17/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyADCSBPNQRPLYMU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.83
Rot. Bonds3

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

2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid (PubChem CID 117027896) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid
PubChem CID117027896
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid
SMILESCc1ccc(N2CCCCC2CC(=O)O)cc1
InChIInChI=1S/C14H19NO2/c1-11-5-7-12(8-6-11)15-9-3-2-4-13(15)10-14(16)17/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyADCSBPNQRPLYMU-UHFFFAOYSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid
CID 67085852
2-[1-(4-propan-2-ylphenyl)pyrrolidin-2-yl]acetic acid
CID 117028588
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958
2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid
CID 117009339
2-[1-[4-(2-methylbenzoyl)phenyl]pyrrolidin-2-yl]acetic acid
CID 67085733
2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 51347255
2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid
CID 61009168
(2S)-1-(4-methylphenyl)pyrrolidine-2-carboxylic acid
CID 131562941
3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid
CID 117028139
2-[1-[4-[(3,4-difluorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetic acid
CID 51348011
2-[1-(1,3-benzodioxol-5-yl)pyrrolidin-2-yl]acetic acid
CID 82383161
2-[(2S)-1-[4-[3-(2-fluoro-5-methylphenyl)phenoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218614

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid (CID 117027896) is 2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid is Cc1ccc(N2CCCCC2CC(=O)O)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid?
The InChIKey is ADCSBPNQRPLYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-5-7-12(8-6-11)15-9-3-2-4-13(15)10-14(16)17/h5-8,13H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of 2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid?
2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid has a molecular weight of 233.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 117027896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).