(3Z)-3-benzylidene-1-methylpiperidine

C13H17N — CID 6443328

IUPAC(3Z)-3-benzylidene-1-methylpiperidine
SMILESCN1CCC/C(=C/c2ccccc2)C1
InChIInChI=1S/C13H17N/c1-14-9-5-8-13(11-14)10-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3/b13-10-
InChIKeyNYDDSDLUMCFLRY-RAXLEYEMSA-N
MW187.29 g/mol
LogP2.80
Rot. Bonds1

About (3Z)-3-benzylidene-1-methylpiperidine

(3Z)-3-benzylidene-1-methylpiperidine (PubChem CID 6443328) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (3Z)-3-benzylidene-1-methylpiperidine.

Molecular Properties

Compound Name(3Z)-3-benzylidene-1-methylpiperidine
PubChem CID6443328
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(3Z)-3-benzylidene-1-methylpiperidine
SMILESCN1CCC/C(=C/c2ccccc2)C1
InChIInChI=1S/C13H17N/c1-14-9-5-8-13(11-14)10-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3/b13-10-
InChIKeyNYDDSDLUMCFLRY-RAXLEYEMSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-benzylidene-1-methylpiperidine?
The IUPAC name of (3Z)-3-benzylidene-1-methylpiperidine (CID 6443328) is (3Z)-3-benzylidene-1-methylpiperidine.
What is the SMILES notation for (3Z)-3-benzylidene-1-methylpiperidine?
The canonical SMILES for (3Z)-3-benzylidene-1-methylpiperidine is CN1CCC/C(=C/c2ccccc2)C1.
What is the InChIKey of (3Z)-3-benzylidene-1-methylpiperidine?
The InChIKey is NYDDSDLUMCFLRY-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H17N/c1-14-9-5-8-13(11-14)10-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3/b13-10-.
What are the key properties of (3Z)-3-benzylidene-1-methylpiperidine?
(3Z)-3-benzylidene-1-methylpiperidine has a molecular weight of 187.29 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-1-methylpiperidine is sourced from PubChem (CID 6443328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).