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

C19H35N — CID 57088319

IUPAC1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]piperidine
SMILESCC(=CC1CCC(C(C)(C)C)CC1)CN1CCCCC1
InChIInChI=1S/C19H35N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h14,17-18H,5-13,15H2,1-4H3
InChIKeyTVUNUNITLCKMAC-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.27
Rot. Bonds3

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

1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]piperidine (PubChem CID 57088319) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]piperidine.

Molecular Properties

Compound Name1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]piperidine
PubChem CID57088319
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]piperidine
SMILESCC(=CC1CCC(C(C)(C)C)CC1)CN1CCCCC1
InChIInChI=1S/C19H35N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h14,17-18H,5-13,15H2,1-4H3
InChIKeyTVUNUNITLCKMAC-UHFFFAOYSA-N
XLogP5.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]piperidine?
The IUPAC name of 1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]piperidine (CID 57088319) is 1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]piperidine.
What is the SMILES notation for 1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]piperidine?
The canonical SMILES for 1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]piperidine is CC(=CC1CCC(C(C)(C)C)CC1)CN1CCCCC1.
What is the InChIKey of 1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]piperidine?
The InChIKey is TVUNUNITLCKMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h14,17-18H,5-13,15H2,1-4H3.
What are the key properties of 1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]piperidine?
1-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]piperidine has a molecular weight of 277.50 g/mol, XLogP of 5.27, 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]piperidine is sourced from PubChem (CID 57088319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).