2-(4-tert-butylcyclohexen-1-yl)-5-methylpiperidine

C16H29N — CID 164750238

IUPAC2-(4-tert-butylcyclohexen-1-yl)-5-methylpiperidine
SMILESCC1CCC(C2=CCC(C(C)(C)C)CC2)NC1
InChIInChI=1S/C16H29N/c1-12-5-10-15(17-11-12)13-6-8-14(9-7-13)16(2,3)4/h6,12,14-15,17H,5,7-11H2,1-4H3
InChIKeyUSNUWOYRZQMPGK-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.15
Rot. Bonds1

About 2-(4-tert-butylcyclohexen-1-yl)-5-methylpiperidine

2-(4-tert-butylcyclohexen-1-yl)-5-methylpiperidine (PubChem CID 164750238) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexen-1-yl)-5-methylpiperidine.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexen-1-yl)-5-methylpiperidine
PubChem CID164750238
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name2-(4-tert-butylcyclohexen-1-yl)-5-methylpiperidine
SMILESCC1CCC(C2=CCC(C(C)(C)C)CC2)NC1
InChIInChI=1S/C16H29N/c1-12-5-10-15(17-11-12)13-6-8-14(9-7-13)16(2,3)4/h6,12,14-15,17H,5,7-11H2,1-4H3
InChIKeyUSNUWOYRZQMPGK-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-tert-butylcyclohexene
CID 11469993
CID 59694830
CID 59694830
4-tert-butyl-1-methylcyclohexene;ethane
CID 143859971
CID 171375076
CID 171375076
(4-tert-butylcyclohexen-1-yl)-trimethylsilane
CID 11052929
1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591
(2R,5S)-2-(2-bromophenyl)-5-methylpiperidine
CID 171755990
5-methyl-2-(1H-pyrazol-4-yl)piperidine
CID 172766986
2,6-dimethyl-4-(5-methylpiperidin-2-yl)phenol
CID 164753381
4-tert-butyl-1-ethynylcyclohexene
CID 15783605
4-methyl-1-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexene
CID 143303546
CID 102086849
CID 102086849

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexen-1-yl)-5-methylpiperidine?
The IUPAC name of 2-(4-tert-butylcyclohexen-1-yl)-5-methylpiperidine (CID 164750238) is 2-(4-tert-butylcyclohexen-1-yl)-5-methylpiperidine.
What is the SMILES notation for 2-(4-tert-butylcyclohexen-1-yl)-5-methylpiperidine?
The canonical SMILES for 2-(4-tert-butylcyclohexen-1-yl)-5-methylpiperidine is CC1CCC(C2=CCC(C(C)(C)C)CC2)NC1.
What is the InChIKey of 2-(4-tert-butylcyclohexen-1-yl)-5-methylpiperidine?
The InChIKey is USNUWOYRZQMPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-12-5-10-15(17-11-12)13-6-8-14(9-7-13)16(2,3)4/h6,12,14-15,17H,5,7-11H2,1-4H3.
What are the key properties of 2-(4-tert-butylcyclohexen-1-yl)-5-methylpiperidine?
2-(4-tert-butylcyclohexen-1-yl)-5-methylpiperidine has a molecular weight of 235.41 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexen-1-yl)-5-methylpiperidine is sourced from PubChem (CID 164750238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).