5-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine

C11H19N3 — CID 123715700

IUPAC5-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CCC(N2CCN(C)CC2)C1
InChIInChI=1S/C11H19N3/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-3,11-12H,4-9H2,1H3/b12-10+
InChIKeyLQNDICDMUGOXIF-ZRDIBKRKSA-N
MW193.29 g/mol
LogP0.97
Rot. Bonds1

About 5-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine

5-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine (PubChem CID 123715700) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine
PubChem CID123715700
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CCC(N2CCN(C)CC2)C1
InChIInChI=1S/C11H19N3/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-3,11-12H,4-9H2,1H3/b12-10+
InChIKeyLQNDICDMUGOXIF-ZRDIBKRKSA-N
XLogP0.97
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-Piperidin-1-yl-6-prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 123144126
1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine
CID 123199265
5-Methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine
CID 123282533
(4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine
CID 123359389
N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine
CID 123368874
4-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123877561
3-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123946826
4-(4-Methylpiperazin-1-yl)cyclohepta-2,6-dien-1-imine
CID 123966950
4-Piperidin-1-ylcyclohex-2-en-1-imine
CID 124002929
1-(1-Methylpiperidin-2-yl)hex-1-en-3-imine
CID 174609931
1-(2,3-Dihydropyridin-6-ylmethyl)-4-propan-2-ylpiperazine
CID 178008658
6-Piperidin-1-ylcyclohexa-2,4-dien-1-imine
CID 174840286

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine (CID 123715700) is 5-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine is [H]/N=C1\C=CCC(N2CCN(C)CC2)C1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine?
The InChIKey is LQNDICDMUGOXIF-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H19N3/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-3,11-12H,4-9H2,1H3/b12-10+.
What are the key properties of 5-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine?
5-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine has a molecular weight of 193.29 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine is sourced from PubChem (CID 123715700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).