1-cyclobutyl-4-(cyclohexa-1,5-dien-1-ylmethylidene)piperidine

C16H23N — CID 71271273

IUPAC1-cyclobutyl-4-(cyclohexa-1,5-dien-1-ylmethylidene)piperidine
SMILESC1=CC(C=C2CCN(C3CCC3)CC2)=CCC1
InChIInChI=1S/C16H23N/c1-2-5-14(6-3-1)13-15-9-11-17(12-10-15)16-7-4-8-16/h2,5-6,13,16H,1,3-4,7-12H2
InChIKeyHSYDVZXUAZVWNA-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.84
Rot. Bonds2

About 1-cyclobutyl-4-(cyclohexa-1,5-dien-1-ylmethylidene)piperidine

1-cyclobutyl-4-(cyclohexa-1,5-dien-1-ylmethylidene)piperidine (PubChem CID 71271273) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-cyclobutyl-4-(cyclohexa-1,5-dien-1-ylmethylidene)piperidine.

Molecular Properties

Compound Name1-cyclobutyl-4-(cyclohexa-1,5-dien-1-ylmethylidene)piperidine
PubChem CID71271273
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-cyclobutyl-4-(cyclohexa-1,5-dien-1-ylmethylidene)piperidine
SMILESC1=CC(C=C2CCN(C3CCC3)CC2)=CCC1
InChIInChI=1S/C16H23N/c1-2-5-14(6-3-1)13-15-9-11-17(12-10-15)16-7-4-8-16/h2,5-6,13,16H,1,3-4,7-12H2
InChIKeyHSYDVZXUAZVWNA-UHFFFAOYSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-(cyclohexa-1,5-dien-1-ylmethylidene)piperidine?
The IUPAC name of 1-cyclobutyl-4-(cyclohexa-1,5-dien-1-ylmethylidene)piperidine (CID 71271273) is 1-cyclobutyl-4-(cyclohexa-1,5-dien-1-ylmethylidene)piperidine.
What is the SMILES notation for 1-cyclobutyl-4-(cyclohexa-1,5-dien-1-ylmethylidene)piperidine?
The canonical SMILES for 1-cyclobutyl-4-(cyclohexa-1,5-dien-1-ylmethylidene)piperidine is C1=CC(C=C2CCN(C3CCC3)CC2)=CCC1.
What is the InChIKey of 1-cyclobutyl-4-(cyclohexa-1,5-dien-1-ylmethylidene)piperidine?
The InChIKey is HSYDVZXUAZVWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-5-14(6-3-1)13-15-9-11-17(12-10-15)16-7-4-8-16/h2,5-6,13,16H,1,3-4,7-12H2.
What are the key properties of 1-cyclobutyl-4-(cyclohexa-1,5-dien-1-ylmethylidene)piperidine?
1-cyclobutyl-4-(cyclohexa-1,5-dien-1-ylmethylidene)piperidine has a molecular weight of 229.37 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-(cyclohexa-1,5-dien-1-ylmethylidene)piperidine is sourced from PubChem (CID 71271273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).