hexyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate

C19H33NO3 — CID 91734601

IUPAChexyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
SMILESCCCCCCOC(=O)C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H33NO3/c1-2-3-4-8-15-23-19(22)17-11-13-20(14-12-17)18(21)16-9-6-5-7-10-16/h16-17H,2-15H2,1H3
InChIKeyIWUYCLZCLHOASQ-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.93
Rot. Bonds7

About hexyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate

hexyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate (PubChem CID 91734601) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is hexyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namehexyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
PubChem CID91734601
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Namehexyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
SMILESCCCCCCOC(=O)C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H33NO3/c1-2-3-4-8-15-23-19(22)17-11-13-20(14-12-17)18(21)16-9-6-5-7-10-16/h16-17H,2-15H2,1H3
InChIKeyIWUYCLZCLHOASQ-UHFFFAOYSA-N
XLogP3.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate?
The IUPAC name of hexyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate (CID 91734601) is hexyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate.
What is the SMILES notation for hexyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate?
The canonical SMILES for hexyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate is CCCCCCOC(=O)C1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of hexyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate?
The InChIKey is IWUYCLZCLHOASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-2-3-4-8-15-23-19(22)17-11-13-20(14-12-17)18(21)16-9-6-5-7-10-16/h16-17H,2-15H2,1H3.
What are the key properties of hexyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate?
hexyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate has a molecular weight of 323.48 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 91734601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).