1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexane-1-carboxylic acid

C16H29NO2 — CID 114596838

IUPAC1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCC1CC(C)C(C)N(CC2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C16H29NO2/c1-12-9-13(2)14(3)17(10-12)11-16(15(18)19)7-5-4-6-8-16/h12-14H,4-11H2,1-3H3,(H,18,19)
InChIKeyGXZLCWQKFHOSMB-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.39
Rot. Bonds3

About 1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexane-1-carboxylic acid

1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 114596838) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID114596838
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCC1CC(C)C(C)N(CC2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C16H29NO2/c1-12-9-13(2)14(3)17(10-12)11-16(15(18)19)7-5-4-6-8-16/h12-14H,4-11H2,1-3H3,(H,18,19)
InChIKeyGXZLCWQKFHOSMB-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

[(1R,2R)-2-carboxycyclohexyl]-trimethylazanium chloride
CID 44382200
6-(1,2,2,3-Tetramethylpiperidin-4-yl)heptanoic acid
CID 91124968
[(1R,2R)-2-carboxycyclohexyl]-trimethylazanium
CID 44382201
1-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62271025
2-[1-[4-(Trifluoromethyl)cyclohexyl]piperidin-2-yl]acetic acid
CID 65064734
2-[1-[3-(Trifluoromethyl)cyclohexyl]piperidin-2-yl]acetic acid
CID 65065071
1-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 65530108
1-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 65532431
2-[3-(Trifluoromethyl)piperidin-1-yl]cyclohexane-1-carboxylic acid
CID 65545299
2-[4-(Trifluoromethyl)piperidin-1-yl]cyclohexane-1-carboxylic acid
CID 65545600
4-Methyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 65906555
4-Methyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 65906734

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexane-1-carboxylic acid (CID 114596838) is 1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexane-1-carboxylic acid is CC1CC(C)C(C)N(CC2(C(=O)O)CCCCC2)C1.
What is the InChIKey of 1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is GXZLCWQKFHOSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12-9-13(2)14(3)17(10-12)11-16(15(18)19)7-5-4-6-8-16/h12-14H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexane-1-carboxylic acid?
1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114596838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).