1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-3-methylpiperidine

C20H37N — CID 57040488

IUPAC1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-3-methylpiperidine
SMILESCC(=CC1CCC(C(C)(C)C)CC1)CN1CCCC(C)C1
InChIInChI=1S/C20H37N/c1-16-7-6-12-21(14-16)15-17(2)13-18-8-10-19(11-9-18)20(3,4)5/h13,16,18-19H,6-12,14-15H2,1-5H3
InChIKeyIDHXJCHJYADFAF-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.52
Rot. Bonds3

About 1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-3-methylpiperidine

1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-3-methylpiperidine (PubChem CID 57040488) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-3-methylpiperidine
PubChem CID57040488
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-3-methylpiperidine
SMILESCC(=CC1CCC(C(C)(C)C)CC1)CN1CCCC(C)C1
InChIInChI=1S/C20H37N/c1-16-7-6-12-21(14-16)15-17(2)13-18-8-10-19(11-9-18)20(3,4)5/h13,16,18-19H,6-12,14-15H2,1-5H3
InChIKeyIDHXJCHJYADFAF-UHFFFAOYSA-N
XLogP5.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.52
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-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-3-methylpiperidine?
The IUPAC name of 1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-3-methylpiperidine (CID 57040488) is 1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-3-methylpiperidine.
What is the SMILES notation for 1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-3-methylpiperidine?
The canonical SMILES for 1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-3-methylpiperidine is CC(=CC1CCC(C(C)(C)C)CC1)CN1CCCC(C)C1.
What is the InChIKey of 1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-3-methylpiperidine?
The InChIKey is IDHXJCHJYADFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-16-7-6-12-21(14-16)15-17(2)13-18-8-10-19(11-9-18)20(3,4)5/h13,16,18-19H,6-12,14-15H2,1-5H3.
What are the key properties of 1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-3-methylpiperidine?
1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-3-methylpiperidine has a molecular weight of 291.52 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-3-methylpiperidine is sourced from PubChem (CID 57040488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).