4-butylidenepiperidine

C9H17N — CID 14966659

IUPAC4-butylidenepiperidine
SMILESCCCC=C1CCNCC1
InChIInChI=1S/C9H17N/c1-2-3-4-9-5-7-10-8-6-9/h4,10H,2-3,5-8H2,1H3
InChIKeyHKYYFIFJSWOHQS-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.10
Rot. Bonds2

About 4-butylidenepiperidine

4-butylidenepiperidine (PubChem CID 14966659) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4-butylidenepiperidine.

Molecular Properties

Compound Name4-butylidenepiperidine
PubChem CID14966659
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4-butylidenepiperidine
SMILESCCCC=C1CCNCC1
InChIInChI=1S/C9H17N/c1-2-3-4-9-5-7-10-8-6-9/h4,10H,2-3,5-8H2,1H3
InChIKeyHKYYFIFJSWOHQS-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
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 4-butylidenepiperidine?
The IUPAC name of 4-butylidenepiperidine (CID 14966659) is 4-butylidenepiperidine.
What is the SMILES notation for 4-butylidenepiperidine?
The canonical SMILES for 4-butylidenepiperidine is CCCC=C1CCNCC1.
What is the InChIKey of 4-butylidenepiperidine?
The InChIKey is HKYYFIFJSWOHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-3-4-9-5-7-10-8-6-9/h4,10H,2-3,5-8H2,1H3.
What are the key properties of 4-butylidenepiperidine?
4-butylidenepiperidine has a molecular weight of 139.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylidenepiperidine is sourced from PubChem (CID 14966659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).