1-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]piperidine

C21H31N — CID 71271203

IUPAC1-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]piperidine
SMILESCC(C)CCc1ccc(C=C2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C21H31N/c1-17(2)6-7-18-8-10-19(11-9-18)16-20-12-14-22(15-13-20)21-4-3-5-21/h8-11,16-17,21H,3-7,12-15H2,1-2H3
InChIKeyYWACMYXTSSLQKQ-UHFFFAOYSA-N
MW297.49 g/mol
LogP5.31
Rot. Bonds5

About 1-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]piperidine

1-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]piperidine (PubChem CID 71271203) has the molecular formula C21H31N and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]piperidine.

Molecular Properties

Compound Name1-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]piperidine
PubChem CID71271203
Molecular FormulaC21H31N
Molecular Weight297.49 g/mol
Exact Mass297.25
IUPAC Name1-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]piperidine
SMILESCC(C)CCc1ccc(C=C2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C21H31N/c1-17(2)6-7-18-8-10-19(11-9-18)16-20-12-14-22(15-13-20)21-4-3-5-21/h8-11,16-17,21H,3-7,12-15H2,1-2H3
InChIKeyYWACMYXTSSLQKQ-UHFFFAOYSA-N
XLogP5.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.49
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]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-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]piperidine?
The IUPAC name of 1-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]piperidine (CID 71271203) is 1-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]piperidine.
What is the SMILES notation for 1-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]piperidine?
The canonical SMILES for 1-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]piperidine is CC(C)CCc1ccc(C=C2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 1-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]piperidine?
The InChIKey is YWACMYXTSSLQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N/c1-17(2)6-7-18-8-10-19(11-9-18)16-20-12-14-22(15-13-20)21-4-3-5-21/h8-11,16-17,21H,3-7,12-15H2,1-2H3.
What are the key properties of 1-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]piperidine?
1-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]piperidine has a molecular weight of 297.49 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]piperidine is sourced from PubChem (CID 71271203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).