4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid

C13H23NO2 — CID 129375560

IUPAC4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid
SMILESC[C@@H]1CCCCN1C1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23NO2/c1-10-4-2-3-9-14(10)12-7-5-11(6-8-12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)/t10-,11?,12?/m1/s1
InChIKeyCATBJSGMXJGHPQ-VOMCLLRMSA-N
MW225.33 g/mol
LogP2.50
Rot. Bonds2

About 4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid

4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 129375560) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid
PubChem CID129375560
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid
SMILESC[C@@H]1CCCCN1C1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23NO2/c1-10-4-2-3-9-14(10)12-7-5-11(6-8-12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)/t10-,11?,12?/m1/s1
InChIKeyCATBJSGMXJGHPQ-VOMCLLRMSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 14734985
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
4-(2-methylpiperidin-1-yl)cyclohexan-1-amine
CID 62807430
4-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
CID 121201487
1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride
CID 126796367
4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782781
ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 167500332
1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79636119
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951
cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid
CID 66625513
cyclopentanecarboxylic acid
CID 18840
2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid
CID 106745187

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid (CID 129375560) is 4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid is C[C@@H]1CCCCN1C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is CATBJSGMXJGHPQ-VOMCLLRMSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-4-2-3-9-14(10)12-7-5-11(6-8-12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)/t10-,11?,12?/m1/s1.
What are the key properties of 4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid?
4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 129375560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).