1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid

C16H27NO2 — CID 104599255

IUPAC1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C1CCCC(C2CC2)C1
InChIInChI=1S/C16H27NO2/c1-16(15(18)19)9-2-3-10-17(16)14-6-4-5-13(11-14)12-7-8-12/h12-14H,2-11H2,1H3,(H,18,19)
InChIKeyKKRHLCHTDTWEQP-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.28
Rot. Bonds3

About 1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid

1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104599255) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104599255
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C1CCCC(C2CC2)C1
InChIInChI=1S/C16H27NO2/c1-16(15(18)19)9-2-3-10-17(16)14-6-4-5-13(11-14)12-7-8-12/h12-14H,2-11H2,1H3,(H,18,19)
InChIKeyKKRHLCHTDTWEQP-UHFFFAOYSA-N
XLogP3.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid
CID 104599068
1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 65071018
1-(4-tert-butylcycloheptyl)-2-methylpyrrolidine-2-carboxylic acid
CID 65094686
1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid
CID 113431183
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid
CID 104598676
1-(4-tert-butylcyclohexyl)-2-methylpyrrolidine-2-carboxylic acid
CID 65071175
2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid
CID 104599130
2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid
CID 104599223
1,2-dimethylpiperidine-2-carboxylic acid
CID 73440704
1-(5,5-dimethylthian-3-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 79946409
1-(2,6-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597846
1-(2-tert-butylcyclohexyl)-2-methylpyrrolidine-2-carboxylic acid
CID 65070972

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid (CID 104599255) is 1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C1CCCC(C2CC2)C1.
What is the InChIKey of 1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is KKRHLCHTDTWEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-16(15(18)19)9-2-3-10-17(16)14-6-4-5-13(11-14)12-7-8-12/h12-14H,2-11H2,1H3,(H,18,19).
What are the key properties of 1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid?
1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 265.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104599255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).