3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid

C16H29NO2 — CID 64740198

IUPAC3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid
SMILESCC1CCC(N2CCCC(CCC(=O)O)C2)CC1C
InChIInChI=1S/C16H29NO2/c1-12-5-7-15(10-13(12)2)17-9-3-4-14(11-17)6-8-16(18)19/h12-15H,3-11H2,1-2H3,(H,18,19)
InChIKeyZYYYWSDWOLJLCC-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.39
Rot. Bonds4

About 3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid

3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid (PubChem CID 64740198) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid
PubChem CID64740198
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid
SMILESCC1CCC(N2CCCC(CCC(=O)O)C2)CC1C
InChIInChI=1S/C16H29NO2/c1-12-5-7-15(10-13(12)2)17-9-3-4-14(11-17)6-8-16(18)19/h12-15H,3-11H2,1-2H3,(H,18,19)
InChIKeyZYYYWSDWOLJLCC-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-(3,4-dimethylcyclohexyl)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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid (CID 64740198) is 3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid is CC1CCC(N2CCCC(CCC(=O)O)C2)CC1C.
What is the InChIKey of 3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid?
The InChIKey is ZYYYWSDWOLJLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12-5-7-15(10-13(12)2)17-9-3-4-14(11-17)6-8-16(18)19/h12-15H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid?
3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid has a molecular weight of 267.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 64740198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).