4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid

C14H25NO4 — CID 106498407

IUPAC4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(CN2CCC(CO)CC2)CC1
InChIInChI=1S/C14H25NO4/c16-9-11-3-7-15(8-4-11)10-14(19)5-1-12(2-6-14)13(17)18/h11-12,16,19H,1-10H2,(H,17,18)
InChIKeyJTZQVHUOTOTNIM-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.70
Rot. Bonds4

About 4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid

4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid (PubChem CID 106498407) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
PubChem CID106498407
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(CN2CCC(CO)CC2)CC1
InChIInChI=1S/C14H25NO4/c16-9-11-3-7-15(8-4-11)10-14(19)5-1-12(2-6-14)13(17)18/h11-12,16,19H,1-10H2,(H,17,18)
InChIKeyJTZQVHUOTOTNIM-UHFFFAOYSA-N
XLogP0.70
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic 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 4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid (CID 106498407) is 4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(O)(CN2CCC(CO)CC2)CC1.
What is the InChIKey of 4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is JTZQVHUOTOTNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c16-9-11-3-7-15(8-4-11)10-14(19)5-1-12(2-6-14)13(17)18/h11-12,16,19H,1-10H2,(H,17,18).
What are the key properties of 4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid?
4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106498407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).