(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid

C14H18FNO2 — CID 94690411

IUPAC(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid
SMILESO=C(O)C[C@H](c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C14H18FNO2/c15-12-6-4-11(5-7-12)13(10-14(17)18)16-8-2-1-3-9-16/h4-7,13H,1-3,8-10H2,(H,17,18)/t13-/m1/s1
InChIKeyCABLDOXQBVMELG-CYBMUJFWSA-N
MW251.30 g/mol
LogP2.83
Rot. Bonds4

About (3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid

(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid (PubChem CID 94690411) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid
PubChem CID94690411
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid
SMILESO=C(O)C[C@H](c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C14H18FNO2/c15-12-6-4-11(5-7-12)13(10-14(17)18)16-8-2-1-3-9-16/h4-7,13H,1-3,8-10H2,(H,17,18)/t13-/m1/s1
InChIKeyCABLDOXQBVMELG-CYBMUJFWSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic 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

3-(4-fluorophenyl)-3-piperidin-1-ylpropanamide
CID 70303350
3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301
3-(3,5-difluorophenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 106534415
3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid
CID 79978018
3-(azepan-1-yl)-3-(4-bromo-3-fluorophenyl)propanoic acid
CID 81440678
3-(azepan-1-yl)-3-(3-chloro-4-fluorophenyl)propanoic acid
CID 81160650
3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 64527801
3-[4-(dimethylamino)phenyl]-3-pyrrolidin-1-ylpropanoic acid
CID 82133328
3-(azepan-1-yl)-3-(3,4-dichlorophenyl)propanoic acid
CID 64526745
3-(2-bromo-5-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 114078048
3-(azepan-1-yl)-3-(2,6-difluorophenyl)propanoic acid
CID 64528307
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid?
The IUPAC name of (3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid (CID 94690411) is (3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid is O=C(O)C[C@H](c1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid?
The InChIKey is CABLDOXQBVMELG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-12-6-4-11(5-7-12)13(10-14(17)18)16-8-2-1-3-9-16/h4-7,13H,1-3,8-10H2,(H,17,18)/t13-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid?
(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid has a molecular weight of 251.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 94690411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).