ethane;1-[(5Z,6E)-6-ethylidene-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-4-methylpiperazine

C18H28N2 — CID 142014843

IUPACethane;1-[(5Z,6E)-6-ethylidene-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-4-methylpiperazine
SMILESC=C/C=c1/cccc(N2CCN(C)CC2)/c1=C/C.CC
InChIInChI=1S/C16H22N2.C2H6/c1-4-7-14-8-6-9-16(15(14)5-2)18-12-10-17(3)11-13-18;1-2/h4-9H,1,10-13H2,2-3H3;1-2H3/b14-7-,15-5+;
InChIKeyOQFADKNTYYKGPV-UIXXXERCSA-N
MW272.44 g/mol
LogP2.23
Rot. Bonds2

About ethane;1-[(5Z,6E)-6-ethylidene-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-4-methylpiperazine

ethane;1-[(5Z,6E)-6-ethylidene-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-4-methylpiperazine (PubChem CID 142014843) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is ethane;1-[(5Z,6E)-6-ethylidene-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-4-methylpiperazine.

Molecular Properties

Compound Nameethane;1-[(5Z,6E)-6-ethylidene-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-4-methylpiperazine
PubChem CID142014843
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Nameethane;1-[(5Z,6E)-6-ethylidene-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-4-methylpiperazine
SMILESC=C/C=c1/cccc(N2CCN(C)CC2)/c1=C/C.CC
InChIInChI=1S/C16H22N2.C2H6/c1-4-7-14-8-6-9-16(15(14)5-2)18-12-10-17(3)11-13-18;1-2/h4-9H,1,10-13H2,2-3H3;1-2H3/b14-7-,15-5+;
InChIKeyOQFADKNTYYKGPV-UIXXXERCSA-N
XLogP2.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(5Z,6E)-6-ethylidene-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-4-methylpiperazine?
The IUPAC name of ethane;1-[(5Z,6E)-6-ethylidene-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-4-methylpiperazine (CID 142014843) is ethane;1-[(5Z,6E)-6-ethylidene-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-4-methylpiperazine.
What is the SMILES notation for ethane;1-[(5Z,6E)-6-ethylidene-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-4-methylpiperazine?
The canonical SMILES for ethane;1-[(5Z,6E)-6-ethylidene-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-4-methylpiperazine is C=C/C=c1/cccc(N2CCN(C)CC2)/c1=C/C.CC.
What is the InChIKey of ethane;1-[(5Z,6E)-6-ethylidene-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-4-methylpiperazine?
The InChIKey is OQFADKNTYYKGPV-UIXXXERCSA-N. The full InChI is InChI=1S/C16H22N2.C2H6/c1-4-7-14-8-6-9-16(15(14)5-2)18-12-10-17(3)11-13-18;1-2/h4-9H,1,10-13H2,2-3H3;1-2H3/b14-7-,15-5+;.
What are the key properties of ethane;1-[(5Z,6E)-6-ethylidene-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-4-methylpiperazine?
ethane;1-[(5Z,6E)-6-ethylidene-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-4-methylpiperazine has a molecular weight of 272.44 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(5Z,6E)-6-ethylidene-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-4-methylpiperazine is sourced from PubChem (CID 142014843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).