1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine

C20H37N — CID 57071278

IUPAC1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine
SMILESCCC(C)(C)C1CCC(C=C(C)CN2CCCCC2)CC1
InChIInChI=1S/C20H37N/c1-5-20(3,4)19-11-9-18(10-12-19)15-17(2)16-21-13-7-6-8-14-21/h15,18-19H,5-14,16H2,1-4H3
InChIKeyYAWMOHFUKSUKIH-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.66
Rot. Bonds5

About 1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine

1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine (PubChem CID 57071278) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine.

Molecular Properties

Compound Name1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine
PubChem CID57071278
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine
SMILESCCC(C)(C)C1CCC(C=C(C)CN2CCCCC2)CC1
InChIInChI=1S/C20H37N/c1-5-20(3,4)19-11-9-18(10-12-19)15-17(2)16-21-13-7-6-8-14-21/h15,18-19H,5-14,16H2,1-4H3
InChIKeyYAWMOHFUKSUKIH-UHFFFAOYSA-N
XLogP5.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine?
The IUPAC name of 1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine (CID 57071278) is 1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine.
What is the SMILES notation for 1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine?
The canonical SMILES for 1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine is CCC(C)(C)C1CCC(C=C(C)CN2CCCCC2)CC1.
What is the InChIKey of 1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine?
The InChIKey is YAWMOHFUKSUKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-5-20(3,4)19-11-9-18(10-12-19)15-17(2)16-21-13-7-6-8-14-21/h15,18-19H,5-14,16H2,1-4H3.
What are the key properties of 1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine?
1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine has a molecular weight of 291.52 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine is sourced from PubChem (CID 57071278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).