3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid

C17H25NO2 — CID 65072325

IUPAC3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid
SMILESCc1ccc(CN2CCCC(CCC(=O)O)C2)c(C)c1
InChIInChI=1S/C17H25NO2/c1-13-5-7-16(14(2)10-13)12-18-9-3-4-15(11-18)6-8-17(19)20/h5,7,10,15H,3-4,6,8-9,11-12H2,1-2H3,(H,19,20)
InChIKeyAQUDETCMNVQAKU-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.38
Rot. Bonds5

About 3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid

3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid (PubChem CID 65072325) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid
PubChem CID65072325
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid
SMILESCc1ccc(CN2CCCC(CCC(=O)O)C2)c(C)c1
InChIInChI=1S/C17H25NO2/c1-13-5-7-16(14(2)10-13)12-18-9-3-4-15(11-18)6-8-17(19)20/h5,7,10,15H,3-4,6,8-9,11-12H2,1-2H3,(H,19,20)
InChIKeyAQUDETCMNVQAKU-UHFFFAOYSA-N
XLogP3.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-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-[1-(2,4-dimethylphenyl)piperidin-3-yl]propanoic acid
CID 117002672
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 114075996
4-[(3-ethylpiperidin-1-yl)methyl]-3-methylbenzoic acid
CID 114485403
N-[[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241176
3-[1-[2-(4-methylphenyl)ethyl]piperidin-3-yl]propanoic acid
CID 122101094
4-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-2-one
CID 83982730
3-[1-[1-(2,4-dimethylphenyl)ethyl]piperidin-3-yl]propanoic acid
CID 65072129
3-[1-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanoic acid
CID 74244025
3-[(3R)-1-(2-fluoro-4-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 97161540
2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol
CID 107227286
(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 24904821
3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide
CID 95716606

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid (CID 65072325) is 3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid is Cc1ccc(CN2CCCC(CCC(=O)O)C2)c(C)c1.
What is the InChIKey of 3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid?
The InChIKey is AQUDETCMNVQAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-5-7-16(14(2)10-13)12-18-9-3-4-15(11-18)6-8-17(19)20/h5,7,10,15H,3-4,6,8-9,11-12H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid?
3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 65072325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).