2-[(4,4-difluorocyclohexyl)methyl]piperidine-1,4-dicarboxylic acid

C14H21F2NO4 — CID 66734682

IUPAC2-[(4,4-difluorocyclohexyl)methyl]piperidine-1,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)O)C(CC2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H21F2NO4/c15-14(16)4-1-9(2-5-14)7-11-8-10(12(18)19)3-6-17(11)13(20)21/h9-11H,1-8H2,(H,18,19)(H,20,21)
InChIKeyUNLWBMOYLOIOKK-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.05
Rot. Bonds3

About 2-[(4,4-difluorocyclohexyl)methyl]piperidine-1,4-dicarboxylic acid

2-[(4,4-difluorocyclohexyl)methyl]piperidine-1,4-dicarboxylic acid (PubChem CID 66734682) has the molecular formula C14H21F2NO4 and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-[(4,4-difluorocyclohexyl)methyl]piperidine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name2-[(4,4-difluorocyclohexyl)methyl]piperidine-1,4-dicarboxylic acid
PubChem CID66734682
Molecular FormulaC14H21F2NO4
Molecular Weight305.32 g/mol
Exact Mass305.14
IUPAC Name2-[(4,4-difluorocyclohexyl)methyl]piperidine-1,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)O)C(CC2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H21F2NO4/c15-14(16)4-1-9(2-5-14)7-11-8-10(12(18)19)3-6-17(11)13(20)21/h9-11H,1-8H2,(H,18,19)(H,20,21)
InChIKeyUNLWBMOYLOIOKK-UHFFFAOYSA-N
XLogP3.05
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4,4-difluorocyclohexyl)methyl]piperidine-1,4-dicarboxylic 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 2-[(4,4-difluorocyclohexyl)methyl]piperidine-1,4-dicarboxylic acid?
The IUPAC name of 2-[(4,4-difluorocyclohexyl)methyl]piperidine-1,4-dicarboxylic acid (CID 66734682) is 2-[(4,4-difluorocyclohexyl)methyl]piperidine-1,4-dicarboxylic acid.
What is the SMILES notation for 2-[(4,4-difluorocyclohexyl)methyl]piperidine-1,4-dicarboxylic acid?
The canonical SMILES for 2-[(4,4-difluorocyclohexyl)methyl]piperidine-1,4-dicarboxylic acid is O=C(O)C1CCN(C(=O)O)C(CC2CCC(F)(F)CC2)C1.
What is the InChIKey of 2-[(4,4-difluorocyclohexyl)methyl]piperidine-1,4-dicarboxylic acid?
The InChIKey is UNLWBMOYLOIOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO4/c15-14(16)4-1-9(2-5-14)7-11-8-10(12(18)19)3-6-17(11)13(20)21/h9-11H,1-8H2,(H,18,19)(H,20,21).
What are the key properties of 2-[(4,4-difluorocyclohexyl)methyl]piperidine-1,4-dicarboxylic acid?
2-[(4,4-difluorocyclohexyl)methyl]piperidine-1,4-dicarboxylic acid has a molecular weight of 305.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluorocyclohexyl)methyl]piperidine-1,4-dicarboxylic acid is sourced from PubChem (CID 66734682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).