1-methyl-4-[[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-(4-methylpiperazin-1-yl)methyl]piperazine

C22H34N4 — CID 10338244

IUPAC1-methyl-4-[[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-(4-methylpiperazin-1-yl)methyl]piperazine
SMILESC=C(/C=c1/ccccc1=C(N1CCN(C)CC1)N1CCN(C)CC1)CC
InChIInChI=1S/C22H34N4/c1-5-19(2)18-20-8-6-7-9-21(20)22(25-14-10-23(3)11-15-25)26-16-12-24(4)13-17-26/h6-9,18H,2,5,10-17H2,1,3-4H3/b20-18-
InChIKeyLWHVUCOIOYHDKU-ZZEZOPTASA-N
MW354.54 g/mol
LogP0.99
Rot. Bonds4

About 1-methyl-4-[[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-(4-methylpiperazin-1-yl)methyl]piperazine

1-methyl-4-[[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-(4-methylpiperazin-1-yl)methyl]piperazine (PubChem CID 10338244) has the molecular formula C22H34N4 and a molecular weight of 354.54 g/mol. Its IUPAC name is 1-methyl-4-[[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-(4-methylpiperazin-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-(4-methylpiperazin-1-yl)methyl]piperazine
PubChem CID10338244
Molecular FormulaC22H34N4
Molecular Weight354.54 g/mol
Exact Mass354.28
IUPAC Name1-methyl-4-[[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-(4-methylpiperazin-1-yl)methyl]piperazine
SMILESC=C(/C=c1/ccccc1=C(N1CCN(C)CC1)N1CCN(C)CC1)CC
InChIInChI=1S/C22H34N4/c1-5-19(2)18-20-8-6-7-9-21(20)22(25-14-10-23(3)11-15-25)26-16-12-24(4)13-17-26/h6-9,18H,2,5,10-17H2,1,3-4H3/b20-18-
InChIKeyLWHVUCOIOYHDKU-ZZEZOPTASA-N
XLogP0.99
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-(4-methylpiperazin-1-yl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-(4-methylpiperazin-1-yl)methyl]piperazine (CID 10338244) is 1-methyl-4-[[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-(4-methylpiperazin-1-yl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-(4-methylpiperazin-1-yl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-(4-methylpiperazin-1-yl)methyl]piperazine is C=C(/C=c1/ccccc1=C(N1CCN(C)CC1)N1CCN(C)CC1)CC.
What is the InChIKey of 1-methyl-4-[[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-(4-methylpiperazin-1-yl)methyl]piperazine?
The InChIKey is LWHVUCOIOYHDKU-ZZEZOPTASA-N. The full InChI is InChI=1S/C22H34N4/c1-5-19(2)18-20-8-6-7-9-21(20)22(25-14-10-23(3)11-15-25)26-16-12-24(4)13-17-26/h6-9,18H,2,5,10-17H2,1,3-4H3/b20-18-.
What are the key properties of 1-methyl-4-[[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-(4-methylpiperazin-1-yl)methyl]piperazine?
1-methyl-4-[[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-(4-methylpiperazin-1-yl)methyl]piperazine has a molecular weight of 354.54 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-(4-methylpiperazin-1-yl)methyl]piperazine is sourced from PubChem (CID 10338244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).