3-[4-[(cyclopropylamino)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanoic acid

C19H27FN2O2 — CID 134405787

IUPAC3-[4-[(cyclopropylamino)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(CNC2CC2)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H27FN2O2/c20-16-3-1-2-15(12-16)13-19(14-21-17-4-5-17)7-10-22(11-8-19)9-6-18(23)24/h1-3,12,17,21H,4-11,13-14H2,(H,23,24)
InChIKeyHJCWTRNLETWCIU-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.68
Rot. Bonds8

About 3-[4-[(cyclopropylamino)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanoic acid

3-[4-[(cyclopropylamino)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanoic acid (PubChem CID 134405787) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-[4-[(cyclopropylamino)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(cyclopropylamino)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanoic acid
PubChem CID134405787
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name3-[4-[(cyclopropylamino)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(CNC2CC2)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H27FN2O2/c20-16-3-1-2-15(12-16)13-19(14-21-17-4-5-17)7-10-22(11-8-19)9-6-18(23)24/h1-3,12,17,21H,4-11,13-14H2,(H,23,24)
InChIKeyHJCWTRNLETWCIU-UHFFFAOYSA-N
XLogP2.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(cyclopropylamino)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanoic 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-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]propanoic acid
CID 82323099
3-[4-[[3-(oxan-4-yloxy)phenyl]methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
CID 118302951
3-[4-[(2-fluorophenyl)methyl]-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
CID 118290148
3-[4-[(2-fluorophenyl)methyl]-4-[[[(1R,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
CID 144903187
(1-aminocyclobutyl)-[4-[(cyclopropylamino)methyl]-4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;benzene
CID 144903334
3-[4-[(5-fluoro-2-pyridinyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
CID 118302954
N-[(1-benzylcyclopropyl)methyl]cyclopropanamine
CID 66026239
3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide
CID 118302888
3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide
CID 118290274
3-[4-(3-fluorophenyl)piperazin-1-yl]propanoic acid
CID 82119624
4-[[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023830
N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 110111262

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(cyclopropylamino)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(cyclopropylamino)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanoic acid (CID 134405787) is 3-[4-[(cyclopropylamino)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(cyclopropylamino)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(cyclopropylamino)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanoic acid is O=C(O)CCN1CCC(CNC2CC2)(Cc2cccc(F)c2)CC1.
What is the InChIKey of 3-[4-[(cyclopropylamino)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanoic acid?
The InChIKey is HJCWTRNLETWCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c20-16-3-1-2-15(12-16)13-19(14-21-17-4-5-17)7-10-22(11-8-19)9-6-18(23)24/h1-3,12,17,21H,4-11,13-14H2,(H,23,24).
What are the key properties of 3-[4-[(cyclopropylamino)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanoic acid?
3-[4-[(cyclopropylamino)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanoic acid has a molecular weight of 334.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(cyclopropylamino)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 134405787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).