3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid

C17H25NO2 — CID 84758596

IUPAC3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid
SMILESCCC1CCCCN1Cc1cccc(CCC(=O)O)c1
InChIInChI=1S/C17H25NO2/c1-2-16-8-3-4-11-18(16)13-15-7-5-6-14(12-15)9-10-17(19)20/h5-7,12,16H,2-4,8-11,13H2,1H3,(H,19,20)
InChIKeyVHKUCLSFNFGOFZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.47
Rot. Bonds6

About 3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid

3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid (PubChem CID 84758596) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid
PubChem CID84758596
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid
SMILESCCC1CCCCN1Cc1cccc(CCC(=O)O)c1
InChIInChI=1S/C17H25NO2/c1-2-16-8-3-4-11-18(16)13-15-7-5-6-14(12-15)9-10-17(19)20/h5-7,12,16H,2-4,8-11,13H2,1H3,(H,19,20)
InChIKeyVHKUCLSFNFGOFZ-UHFFFAOYSA-N
XLogP3.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]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-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 84758629
3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid
CID 62217691
3-[3-[(1-benzylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 120613936
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056
3-[3-[(2-ethylazepan-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 104691411
3-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 106818951
1-(2-ethylazepan-1-yl)-3-phenylpropan-2-one
CID 113441826
4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one
CID 53191773
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369953
3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
CID 62215820
N-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide
CID 109032779

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid?
The IUPAC name of 3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid (CID 84758596) is 3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid is CCC1CCCCN1Cc1cccc(CCC(=O)O)c1.
What is the InChIKey of 3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid?
The InChIKey is VHKUCLSFNFGOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-16-8-3-4-11-18(16)13-15-7-5-6-14(12-15)9-10-17(19)20/h5-7,12,16H,2-4,8-11,13H2,1H3,(H,19,20).
What are the key properties of 3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid?
3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid is sourced from PubChem (CID 84758596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).