4-methylidene-1-phenylpiperidine

C12H15N — CID 58902724

IUPAC4-methylidene-1-phenylpiperidine
SMILESC=C1CCN(c2ccccc2)CC1
InChIInChI=1S/C12H15N/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-6H,1,7-10H2
InChIKeyVUDNGXBWIUZSCW-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.84
Rot. Bonds1

About 4-methylidene-1-phenylpiperidine

4-methylidene-1-phenylpiperidine (PubChem CID 58902724) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-methylidene-1-phenylpiperidine.

Molecular Properties

Compound Name4-methylidene-1-phenylpiperidine
PubChem CID58902724
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name4-methylidene-1-phenylpiperidine
SMILESC=C1CCN(c2ccccc2)CC1
InChIInChI=1S/C12H15N/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-6H,1,7-10H2
InChIKeyVUDNGXBWIUZSCW-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.84
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 4-methylidene-1-phenylpiperidine?
The IUPAC name of 4-methylidene-1-phenylpiperidine (CID 58902724) is 4-methylidene-1-phenylpiperidine.
What is the SMILES notation for 4-methylidene-1-phenylpiperidine?
The canonical SMILES for 4-methylidene-1-phenylpiperidine is C=C1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-methylidene-1-phenylpiperidine?
The InChIKey is VUDNGXBWIUZSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-6H,1,7-10H2.
What are the key properties of 4-methylidene-1-phenylpiperidine?
4-methylidene-1-phenylpiperidine has a molecular weight of 173.26 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-phenylpiperidine is sourced from PubChem (CID 58902724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).