3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid

C15H28N2O2 — CID 107163347

IUPAC3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESCN1CCC(C)(CNC2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(6-8-17(2)9-7-15)11-16-13-5-3-4-12(10-13)14(18)19/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyWNEJOOKPPGBMNB-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.95
Rot. Bonds4

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

3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 107163347) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID107163347
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESCN1CCC(C)(CNC2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(6-8-17(2)9-7-15)11-16-13-5-3-4-12(10-13)14(18)19/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyWNEJOOKPPGBMNB-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride
CID 45260810
2-Azaspiro[5.5]undecane-5-carboxylic acid
CID 15521211
3-(2-Fluoroethylamino)cyclohexane-1-carboxylic acid
CID 80693967
3-(3-Fluoropropylamino)cyclohexane-1-carboxylic acid
CID 81113394
3-(4,4,4-Trifluorobutan-2-ylamino)cyclohexane-1-carboxylic acid
CID 105932477
3-(6,6,6-Trifluorohexan-2-ylamino)cyclohexane-1-carboxylic acid
CID 116536214
2-[1-[(2-Methylbutylamino)methyl]cyclohexyl]acetic acid
CID 9835337
2-[(3S,5R)-1-[(cyclohexylamino)methyl]-3,5-dimethylcyclohexyl]acetic acid
CID 9858158
2-[1-[(Propan-2-ylamino)methyl]cyclohexyl]acetic acid;hydrochloride
CID 9899698
2-[1-[(Propan-2-ylamino)methyl]cyclohexyl]acetic acid
CID 9899699
2-[1-[(2-Methylpropylamino)methyl]cyclohexyl]acetic acid
CID 9899965
2-[(3S,5R)-3,5-dimethyl-1-[(propan-2-ylamino)methyl]cyclohexyl]acetic acid
CID 9900286

Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid (CID 107163347) is 3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid is CN1CCC(C)(CNC2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is WNEJOOKPPGBMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(6-8-17(2)9-7-15)11-16-13-5-3-4-12(10-13)14(18)19/h12-13,16H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid?
3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107163347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).