(3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine

C16H21N — CID 10911293

IUPAC(3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine
SMILESC/C=C1\CN(Cc2ccccc2)CC\C1=C/C
InChIInChI=1S/C16H21N/c1-3-15-10-11-17(13-16(15)4-2)12-14-8-6-5-7-9-14/h3-9H,10-13H2,1-2H3/b15-3+,16-4+
InChIKeyFSMYDAHLZIEGLM-FDOALMFVSA-N
MW227.35 g/mol
LogP3.78
Rot. Bonds2

About (3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine

(3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine (PubChem CID 10911293) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is (3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine.

Molecular Properties

Compound Name(3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine
PubChem CID10911293
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name(3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine
SMILESC/C=C1\CN(Cc2ccccc2)CC\C1=C/C
InChIInChI=1S/C16H21N/c1-3-15-10-11-17(13-16(15)4-2)12-14-8-6-5-7-9-14/h3-9H,10-13H2,1-2H3/b15-3+,16-4+
InChIKeyFSMYDAHLZIEGLM-FDOALMFVSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one
CID 28742102
1-benzylpiperidin-4-one;butane
CID 70571840
1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine
CID 70971463
1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine
CID 139357568
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzylpiperidin-3-one;hydrate
CID 144851326
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
1-benzylpiperidin-3-one;ethene
CID 153347429
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
CID 145118805
1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
CID 21498263
(3E)-1-benzyl-3-[(3-fluorophenyl)methylidene]piperidin-4-one
CID 110538840
2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815

Frequently Asked Questions

What is the IUPAC name of (3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine?
The IUPAC name of (3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine (CID 10911293) is (3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine.
What is the SMILES notation for (3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine?
The canonical SMILES for (3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine is C/C=C1\CN(Cc2ccccc2)CC\C1=C/C.
What is the InChIKey of (3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine?
The InChIKey is FSMYDAHLZIEGLM-FDOALMFVSA-N. The full InChI is InChI=1S/C16H21N/c1-3-15-10-11-17(13-16(15)4-2)12-14-8-6-5-7-9-14/h3-9H,10-13H2,1-2H3/b15-3+,16-4+.
What are the key properties of (3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine?
(3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine has a molecular weight of 227.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine is sourced from PubChem (CID 10911293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).