lithium 1-methyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzene-2-id-1-yl]methyl]piperazine

C18H29LiN4 — CID 138967613

IUPAClithium 1-methyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzene-2-id-1-yl]methyl]piperazine
SMILESCN1CCN(Cc2[c-]c(CN3CCN(C)CC3)ccc2)CC1.[Li+]
InChIInChI=1S/C18H29N4.Li/c1-19-6-10-21(11-7-19)15-17-4-3-5-18(14-17)16-22-12-8-20(2)9-13-22;/h3-5H,6-13,15-16H2,1-2H3;/q-1;+1
InChIKeyACNUHSHNWWOMQO-UHFFFAOYSA-N
MW308.40 g/mol
LogP-2.01
Rot. Bonds4

About lithium 1-methyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzene-2-id-1-yl]methyl]piperazine

lithium 1-methyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzene-2-id-1-yl]methyl]piperazine (PubChem CID 138967613) has the molecular formula C18H29LiN4 and a molecular weight of 308.40 g/mol. Its IUPAC name is lithium 1-methyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzene-2-id-1-yl]methyl]piperazine.

Molecular Properties

Compound Namelithium 1-methyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzene-2-id-1-yl]methyl]piperazine
PubChem CID138967613
Molecular FormulaC18H29LiN4
Molecular Weight308.40 g/mol
Exact Mass308.26
IUPAC Namelithium 1-methyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzene-2-id-1-yl]methyl]piperazine
SMILESCN1CCN(Cc2[c-]c(CN3CCN(C)CC3)ccc2)CC1.[Li+]
InChIInChI=1S/C18H29N4.Li/c1-19-6-10-21(11-7-19)15-17-4-3-5-18(14-17)16-22-12-8-20(2)9-13-22;/h3-5H,6-13,15-16H2,1-2H3;/q-1;+1
InChIKeyACNUHSHNWWOMQO-UHFFFAOYSA-N
XLogP-2.01
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 5-2.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-(Cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine
CID 70264180
1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]piperazine
CID 89832478
1-[(Z,2E)-2-ethylidenepent-3-enyl]-4-methylpiperazine
CID 142275826
1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine;propane
CID 142544821
1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine
CID 142544822
1-methyl-4-[(Z)-2-methylidenepent-3-enyl]piperazine
CID 142873028
1-(Cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane
CID 143054399
1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hepta-2,4-dienyl]piperazine
CID 143115310
1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine
CID 143176220
1-methyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine
CID 143258802
1-ethyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine
CID 143417407
1-methyl-4-[(3Z)-4-methyl-2-methylidenehexa-3,5-dienyl]piperazine
CID 143790959

Frequently Asked Questions

What is the IUPAC name of lithium 1-methyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzene-2-id-1-yl]methyl]piperazine?
The IUPAC name of lithium 1-methyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzene-2-id-1-yl]methyl]piperazine (CID 138967613) is lithium 1-methyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzene-2-id-1-yl]methyl]piperazine.
What is the SMILES notation for lithium 1-methyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzene-2-id-1-yl]methyl]piperazine?
The canonical SMILES for lithium 1-methyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzene-2-id-1-yl]methyl]piperazine is CN1CCN(Cc2[c-]c(CN3CCN(C)CC3)ccc2)CC1.[Li+].
What is the InChIKey of lithium 1-methyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzene-2-id-1-yl]methyl]piperazine?
The InChIKey is ACNUHSHNWWOMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N4.Li/c1-19-6-10-21(11-7-19)15-17-4-3-5-18(14-17)16-22-12-8-20(2)9-13-22;/h3-5H,6-13,15-16H2,1-2H3;/q-1;+1.
What are the key properties of lithium 1-methyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzene-2-id-1-yl]methyl]piperazine?
lithium 1-methyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzene-2-id-1-yl]methyl]piperazine has a molecular weight of 308.40 g/mol, XLogP of -2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-methyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzene-2-id-1-yl]methyl]piperazine is sourced from PubChem (CID 138967613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).