4-benzylidene-3-methylpiperidine

C13H17N — CID 66897320

IUPAC4-benzylidene-3-methylpiperidine
SMILESCC1CNCCC1=Cc1ccccc1
InChIInChI=1S/C13H17N/c1-11-10-14-8-7-13(11)9-12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3
InChIKeyQRONDJJVTLQLKQ-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.70
Rot. Bonds1

About 4-benzylidene-3-methylpiperidine

4-benzylidene-3-methylpiperidine (PubChem CID 66897320) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-benzylidene-3-methylpiperidine.

Molecular Properties

Compound Name4-benzylidene-3-methylpiperidine
PubChem CID66897320
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name4-benzylidene-3-methylpiperidine
SMILESCC1CNCCC1=Cc1ccccc1
InChIInChI=1S/C13H17N/c1-11-10-14-8-7-13(11)9-12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3
InChIKeyQRONDJJVTLQLKQ-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine
CID 66884912
3-benzylidene-4-methyloxolane
CID 11725420
(2E,5E)-2,5-dibenzylidenecyclopentan-1-ol
CID 12642987
5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 11310932
(8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 13164040
1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine
CID 69121840
(5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
CID 69441427
(3S)-3-methyl-5-[(Z)-2-phenylethenyl]azepane
CID 142892623
(3-methyl-2-nitrosocyclohexylidene)methylbenzene
CID 57234852
(6E)-6-benzylidene-3-methyloxan-2-one
CID 139265388
(4E)-4-[[2-(4-chlorothiophen-2-yl)-4-fluorophenyl]methylidene]-3-methylpiperidine
CID 139888893
(5R)-7-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 59649507

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-3-methylpiperidine?
The IUPAC name of 4-benzylidene-3-methylpiperidine (CID 66897320) is 4-benzylidene-3-methylpiperidine.
What is the SMILES notation for 4-benzylidene-3-methylpiperidine?
The canonical SMILES for 4-benzylidene-3-methylpiperidine is CC1CNCCC1=Cc1ccccc1.
What is the InChIKey of 4-benzylidene-3-methylpiperidine?
The InChIKey is QRONDJJVTLQLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-11-10-14-8-7-13(11)9-12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3.
What are the key properties of 4-benzylidene-3-methylpiperidine?
4-benzylidene-3-methylpiperidine has a molecular weight of 187.29 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-3-methylpiperidine is sourced from PubChem (CID 66897320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).