2-methylidene-1-phenylpiperidine

C12H15N — CID 54477210

IUPAC2-methylidene-1-phenylpiperidine
SMILESC=C1CCCCN1c1ccccc1
InChIInChI=1S/C12H15N/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-4,8-9H,1,5-7,10H2
InChIKeyXMKXPWVYWZFMDS-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.19
Rot. Bonds1

About 2-methylidene-1-phenylpiperidine

2-methylidene-1-phenylpiperidine (PubChem CID 54477210) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-methylidene-1-phenylpiperidine.

Molecular Properties

Compound Name2-methylidene-1-phenylpiperidine
PubChem CID54477210
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-methylidene-1-phenylpiperidine
SMILESC=C1CCCCN1c1ccccc1
InChIInChI=1S/C12H15N/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-4,8-9H,1,5-7,10H2
InChIKeyXMKXPWVYWZFMDS-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-phenylpiperidine?
The IUPAC name of 2-methylidene-1-phenylpiperidine (CID 54477210) is 2-methylidene-1-phenylpiperidine.
What is the SMILES notation for 2-methylidene-1-phenylpiperidine?
The canonical SMILES for 2-methylidene-1-phenylpiperidine is C=C1CCCCN1c1ccccc1.
What is the InChIKey of 2-methylidene-1-phenylpiperidine?
The InChIKey is XMKXPWVYWZFMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-4,8-9H,1,5-7,10H2.
What are the key properties of 2-methylidene-1-phenylpiperidine?
2-methylidene-1-phenylpiperidine has a molecular weight of 173.26 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-phenylpiperidine is sourced from PubChem (CID 54477210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).