1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid

C16H29NO2 — CID 122125261

IUPAC1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCC1CCCC(CN2CC(C)CC(C(=O)O)C2)C1
InChIInChI=1S/C16H29NO2/c1-3-13-5-4-6-14(8-13)10-17-9-12(2)7-15(11-17)16(18)19/h12-15H,3-11H2,1-2H3,(H,18,19)
InChIKeyIRKQULYRMJAXAG-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.25
Rot. Bonds4

About 1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid

1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122125261) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122125261
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCC1CCCC(CN2CC(C)CC(C(=O)O)C2)C1
InChIInChI=1S/C16H29NO2/c1-3-13-5-4-6-14(8-13)10-17-9-12(2)7-15(11-17)16(18)19/h12-15H,3-11H2,1-2H3,(H,18,19)
InChIKeyIRKQULYRMJAXAG-UHFFFAOYSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122125296
5-methyl-1-propylpiperidine-3-carboxylic acid
CID 130942470
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid
CID 122121229
1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544111
1-(cyclobutylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65459238
1-but-3-ynyl-5-methylpiperidine-3-carboxylic acid
CID 130804536
5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 83998065
3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid
CID 83820985
1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119716
1-[[3-(cyclohexylmethoxy)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125440
1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121628
(3S,5S)-1-(cyclopropylmethyl)-3,5-dimethylpiperidine
CID 134195604

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid (CID 122125261) is 1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid is CCC1CCCC(CN2CC(C)CC(C(=O)O)C2)C1.
What is the InChIKey of 1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is IRKQULYRMJAXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-13-5-4-6-14(8-13)10-17-9-12(2)7-15(11-17)16(18)19/h12-15H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid?
1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122125261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).