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

C13H17FN2O2 — CID 156798431

IUPAC2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid
SMILESNc1ccc(C2CCN(CC(=O)O)CC2)c(F)c1
InChIInChI=1S/C13H17FN2O2/c14-12-7-10(15)1-2-11(12)9-3-5-16(6-4-9)8-13(17)18/h1-2,7,9H,3-6,8,15H2,(H,17,18)
InChIKeyVHMHJKVJUUKCNO-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.67
Rot. Bonds3

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

2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid (PubChem CID 156798431) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid
PubChem CID156798431
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid
SMILESNc1ccc(C2CCN(CC(=O)O)CC2)c(F)c1
InChIInChI=1S/C13H17FN2O2/c14-12-7-10(15)1-2-11(12)9-3-5-16(6-4-9)8-13(17)18/h1-2,7,9H,3-6,8,15H2,(H,17,18)
InChIKeyVHMHJKVJUUKCNO-UHFFFAOYSA-N
XLogP1.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid
CID 167237711
2-[4-(4-amino-2-methylphenyl)piperidin-1-yl]acetamide
CID 57416139
tert-butyl 4-[[4-(4-amino-2-fluorophenyl)piperidin-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 172591464
2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid
CID 166472394
CID 166168961
CID 166168961
2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid
CID 175548556
2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid
CID 82131899
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141567
4-(4,4-difluorocyclohexyl)-3-fluoroaniline
CID 162444535
2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid
CID 157205179
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335
3-fluoro-4-pyrrolidin-3-ylaniline
CID 22625736

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid (CID 156798431) is 2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid is Nc1ccc(C2CCN(CC(=O)O)CC2)c(F)c1.
What is the InChIKey of 2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid?
The InChIKey is VHMHJKVJUUKCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-12-7-10(15)1-2-11(12)9-3-5-16(6-4-9)8-13(17)18/h1-2,7,9H,3-6,8,15H2,(H,17,18).
What are the key properties of 2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid?
2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid has a molecular weight of 252.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 156798431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).