(3-pentan-3-ylcyclohexyl) piperidine-1-carboxylate

C17H31NO2 — CID 155276479

IUPAC(3-pentan-3-ylcyclohexyl) piperidine-1-carboxylate
SMILESCCC(CC)C1CCCC(OC(=O)N2CCCCC2)C1
InChIInChI=1S/C17H31NO2/c1-3-14(4-2)15-9-8-10-16(13-15)20-17(19)18-11-6-5-7-12-18/h14-16H,3-13H2,1-2H3
InChIKeyQHOVWFWWACXBLP-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.60
Rot. Bonds4

About (3-pentan-3-ylcyclohexyl) piperidine-1-carboxylate

(3-pentan-3-ylcyclohexyl) piperidine-1-carboxylate (PubChem CID 155276479) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (3-pentan-3-ylcyclohexyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(3-pentan-3-ylcyclohexyl) piperidine-1-carboxylate
PubChem CID155276479
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(3-pentan-3-ylcyclohexyl) piperidine-1-carboxylate
SMILESCCC(CC)C1CCCC(OC(=O)N2CCCCC2)C1
InChIInChI=1S/C17H31NO2/c1-3-14(4-2)15-9-8-10-16(13-15)20-17(19)18-11-6-5-7-12-18/h14-16H,3-13H2,1-2H3
InChIKeyQHOVWFWWACXBLP-UHFFFAOYSA-N
XLogP4.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-pentan-3-ylcyclohexyl) piperidine-1-carboxylate?
The IUPAC name of (3-pentan-3-ylcyclohexyl) piperidine-1-carboxylate (CID 155276479) is (3-pentan-3-ylcyclohexyl) piperidine-1-carboxylate.
What is the SMILES notation for (3-pentan-3-ylcyclohexyl) piperidine-1-carboxylate?
The canonical SMILES for (3-pentan-3-ylcyclohexyl) piperidine-1-carboxylate is CCC(CC)C1CCCC(OC(=O)N2CCCCC2)C1.
What is the InChIKey of (3-pentan-3-ylcyclohexyl) piperidine-1-carboxylate?
The InChIKey is QHOVWFWWACXBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-3-14(4-2)15-9-8-10-16(13-15)20-17(19)18-11-6-5-7-12-18/h14-16H,3-13H2,1-2H3.
What are the key properties of (3-pentan-3-ylcyclohexyl) piperidine-1-carboxylate?
(3-pentan-3-ylcyclohexyl) piperidine-1-carboxylate has a molecular weight of 281.44 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pentan-3-ylcyclohexyl) piperidine-1-carboxylate is sourced from PubChem (CID 155276479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).