4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid

C22H34N2O2 — CID 122030403

IUPAC4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid
SMILESCC1CC(C)CN(Cc2ccccc2CNC2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C22H34N2O2/c1-16-11-17(2)14-24(13-16)15-20-6-4-3-5-19(20)12-23-21-9-7-18(8-10-21)22(25)26/h3-6,16-18,21,23H,7-15H2,1-2H3,(H,25,26)
InChIKeyBIIOPLJAUWHDAW-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.90
Rot. Bonds6

About 4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid

4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid (PubChem CID 122030403) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid
PubChem CID122030403
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid
SMILESCC1CC(C)CN(Cc2ccccc2CNC2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C22H34N2O2/c1-16-11-17(2)14-24(13-16)15-20-6-4-3-5-19(20)12-23-21-9-7-18(8-10-21)22(25)26/h3-6,16-18,21,23H,7-15H2,1-2H3,(H,25,26)
InChIKeyBIIOPLJAUWHDAW-UHFFFAOYSA-N
XLogP3.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]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

Related Compounds

N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55069877
4-[(2-bromophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810049
4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809553
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 55847080
4-[(2-chloro-6-ethylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509713
4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031371
N,1-dibenzyl-5-methylpiperidin-3-amine
CID 83993568
(3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124726117
4-[(3-chloro-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 114489051
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423584
4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509881
4-[(2-butoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509937

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid (CID 122030403) is 4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid is CC1CC(C)CN(Cc2ccccc2CNC2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is BIIOPLJAUWHDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-16-11-17(2)14-24(13-16)15-20-6-4-3-5-19(20)12-23-21-9-7-18(8-10-21)22(25)26/h3-6,16-18,21,23H,7-15H2,1-2H3,(H,25,26).
What are the key properties of 4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid?
4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 358.53 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122030403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).