1-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methyl]piperidine

C16H27N — CID 14335178

IUPAC1-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methyl]piperidine
SMILESCC1=CCC2C(C1CN1CCCCC1)C2(C)C
InChIInChI=1S/C16H27N/c1-12-7-8-14-15(16(14,2)3)13(12)11-17-9-5-4-6-10-17/h7,13-15H,4-6,8-11H2,1-3H3
InChIKeyKJODYROFUBMDJZ-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.71
Rot. Bonds2

About 1-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methyl]piperidine

1-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methyl]piperidine (PubChem CID 14335178) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methyl]piperidine
PubChem CID14335178
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methyl]piperidine
SMILESCC1=CCC2C(C1CN1CCCCC1)C2(C)C
InChIInChI=1S/C16H27N/c1-12-7-8-14-15(16(14,2)3)13(12)11-17-9-5-4-6-10-17/h7,13-15H,4-6,8-11H2,1-3H3
InChIKeyKJODYROFUBMDJZ-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.71
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-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methyl]piperidine?
The IUPAC name of 1-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methyl]piperidine (CID 14335178) is 1-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methyl]piperidine.
What is the SMILES notation for 1-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methyl]piperidine?
The canonical SMILES for 1-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methyl]piperidine is CC1=CCC2C(C1CN1CCCCC1)C2(C)C.
What is the InChIKey of 1-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methyl]piperidine?
The InChIKey is KJODYROFUBMDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-12-7-8-14-15(16(14,2)3)13(12)11-17-9-5-4-6-10-17/h7,13-15H,4-6,8-11H2,1-3H3.
What are the key properties of 1-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methyl]piperidine?
1-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methyl]piperidine has a molecular weight of 233.40 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methyl]piperidine is sourced from PubChem (CID 14335178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).