5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid

C15H27NO2 — CID 165455355

IUPAC5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid
SMILESCC(C)C1CCC(C2CNCC(C(=O)O)C2)CC1
InChIInChI=1S/C15H27NO2/c1-10(2)11-3-5-12(6-4-11)13-7-14(15(17)18)9-16-8-13/h10-14,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyYSOTVJFABZAJOS-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.76
Rot. Bonds3

About 5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid

5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid (PubChem CID 165455355) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid
PubChem CID165455355
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid
SMILESCC(C)C1CCC(C2CNCC(C(=O)O)C2)CC1
InChIInChI=1S/C15H27NO2/c1-10(2)11-3-5-12(6-4-11)13-7-14(15(17)18)9-16-8-13/h10-14,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyYSOTVJFABZAJOS-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 165455349
5-(2-methyloxan-4-yl)piperidine-3-carboxylic acid
CID 165449963
propan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
CID 25094471
2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid
CID 130542777
2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylic acid
CID 83816195
(3R,5S)-5-propan-2-ylpyrrolidine-3-carboxylic acid
CID 96735721
(1R)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 59877468
(5S)-5-aminopiperidine-3-carboxylic acid
CID 66697162
(3S,5R)-5-fluoropiperidine-3-carboxylic acid
CID 45090389
2-(5-propan-2-ylpiperidin-3-yl)acetic acid
CID 178113239
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone
CID 25097848
(2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid
CID 54517485

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid (CID 165455355) is 5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid is CC(C)C1CCC(C2CNCC(C(=O)O)C2)CC1.
What is the InChIKey of 5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid?
The InChIKey is YSOTVJFABZAJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10(2)11-3-5-12(6-4-11)13-7-14(15(17)18)9-16-8-13/h10-14,16H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid?
5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 165455355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).