4-methyl-1-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]piperidine

C17H31N — CID 82022966

IUPAC4-methyl-1-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]piperidine
SMILESCCC(C)(C)C1CC=C(N2CCC(C)CC2)CC1
InChIInChI=1S/C17H31N/c1-5-17(3,4)15-6-8-16(9-7-15)18-12-10-14(2)11-13-18/h8,14-15H,5-7,9-13H2,1-4H3
InChIKeyFJONAVADOCHPDX-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.84
Rot. Bonds3

About 4-methyl-1-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]piperidine

4-methyl-1-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]piperidine (PubChem CID 82022966) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 4-methyl-1-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]piperidine
PubChem CID82022966
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name4-methyl-1-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]piperidine
SMILESCCC(C)(C)C1CC=C(N2CCC(C)CC2)CC1
InChIInChI=1S/C17H31N/c1-5-17(3,4)15-6-8-16(9-7-15)18-12-10-14(2)11-13-18/h8,14-15H,5-7,9-13H2,1-4H3
InChIKeyFJONAVADOCHPDX-UHFFFAOYSA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]piperidine?
The IUPAC name of 4-methyl-1-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]piperidine (CID 82022966) is 4-methyl-1-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]piperidine.
What is the SMILES notation for 4-methyl-1-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]piperidine?
The canonical SMILES for 4-methyl-1-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]piperidine is CCC(C)(C)C1CC=C(N2CCC(C)CC2)CC1.
What is the InChIKey of 4-methyl-1-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]piperidine?
The InChIKey is FJONAVADOCHPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-5-17(3,4)15-6-8-16(9-7-15)18-12-10-14(2)11-13-18/h8,14-15H,5-7,9-13H2,1-4H3.
What are the key properties of 4-methyl-1-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]piperidine?
4-methyl-1-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]piperidine has a molecular weight of 249.44 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]piperidine is sourced from PubChem (CID 82022966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).