(3E,4Z)-1-methyl-3,4-bis(prop-2-enylidene)piperidine

C12H17N — CID 130279657

IUPAC(3E,4Z)-1-methyl-3,4-bis(prop-2-enylidene)piperidine
SMILESC=C/C=C1/CCN(C)C/C1=C/C=C
InChIInChI=1S/C12H17N/c1-4-6-11-8-9-13(3)10-12(11)7-5-2/h4-7H,1-2,8-10H2,3H3/b11-6-,12-7-
InChIKeyVBGNHJAXNHWFJJ-IODUZNRKSA-N
MW175.27 g/mol
LogP2.55
Rot. Bonds2

About (3E,4Z)-1-methyl-3,4-bis(prop-2-enylidene)piperidine

(3E,4Z)-1-methyl-3,4-bis(prop-2-enylidene)piperidine (PubChem CID 130279657) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (3E,4Z)-1-methyl-3,4-bis(prop-2-enylidene)piperidine.

Molecular Properties

Compound Name(3E,4Z)-1-methyl-3,4-bis(prop-2-enylidene)piperidine
PubChem CID130279657
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(3E,4Z)-1-methyl-3,4-bis(prop-2-enylidene)piperidine
SMILESC=C/C=C1/CCN(C)C/C1=C/C=C
InChIInChI=1S/C12H17N/c1-4-6-11-8-9-13(3)10-12(11)7-5-2/h4-7H,1-2,8-10H2,3H3/b11-6-,12-7-
InChIKeyVBGNHJAXNHWFJJ-IODUZNRKSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
Piperidine, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446865
1-Geranylpiperidine
CID 12760939
1,1'-Dimethyl-1,1',2,2',3,3',6,6'-octahydro-4,4'-bipyridine
CID 171013
Bromo[2-(1-piperidinylmethyl)phenyl]magnesium
CID 16217258
[3-(1-Piperidinylmethyl)phenyl]magnesium bromide
CID 16217259
(4-(1-Piperidinylmethyl)phenyl)magnesium bromide
CID 16217260
1-[(1E,3E)-hexa-1,3-dienyl]piperidine
CID 15665730
1-(2,5-Dimethyl-1,4-hexadien-1-YL)piperidine
CID 24209787
1-(1-Cyclopenta-2,4-dien-1-ylidenepropyl)piperidine
CID 134982821
1-[(E)-2-ethylhex-2-enyl]-1-methylpiperidin-1-ium
CID 6152674
Ethyl viologen
CID 91704654

Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-1-methyl-3,4-bis(prop-2-enylidene)piperidine?
The IUPAC name of (3E,4Z)-1-methyl-3,4-bis(prop-2-enylidene)piperidine (CID 130279657) is (3E,4Z)-1-methyl-3,4-bis(prop-2-enylidene)piperidine.
What is the SMILES notation for (3E,4Z)-1-methyl-3,4-bis(prop-2-enylidene)piperidine?
The canonical SMILES for (3E,4Z)-1-methyl-3,4-bis(prop-2-enylidene)piperidine is C=C/C=C1/CCN(C)C/C1=C/C=C.
What is the InChIKey of (3E,4Z)-1-methyl-3,4-bis(prop-2-enylidene)piperidine?
The InChIKey is VBGNHJAXNHWFJJ-IODUZNRKSA-N. The full InChI is InChI=1S/C12H17N/c1-4-6-11-8-9-13(3)10-12(11)7-5-2/h4-7H,1-2,8-10H2,3H3/b11-6-,12-7-.
What are the key properties of (3E,4Z)-1-methyl-3,4-bis(prop-2-enylidene)piperidine?
(3E,4Z)-1-methyl-3,4-bis(prop-2-enylidene)piperidine has a molecular weight of 175.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-1-methyl-3,4-bis(prop-2-enylidene)piperidine is sourced from PubChem (CID 130279657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).