(Z,2Z)-2-benzylidene-N-[1-(2-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine

C21H31N3O — CID 88808899

IUPAC(Z,2Z)-2-benzylidene-N-[1-(2-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine
SMILESCCC(O/N=C1/CCCC/C1=C/c1ccccc1)N1CCNCC1C
InChIInChI=1S/C21H31N3O/c1-3-21(24-14-13-22-16-17(24)2)25-23-20-12-8-7-11-19(20)15-18-9-5-4-6-10-18/h4-6,9-10,15,17,21-22H,3,7-8,11-14,16H2,1-2H3/b19-15-,23-20-
InChIKeyMWVBIOVXBBEVMX-LRLZIJSPSA-N
MW341.50 g/mol
LogP4.05
Rot. Bonds5

About (Z,2Z)-2-benzylidene-N-[1-(2-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine

(Z,2Z)-2-benzylidene-N-[1-(2-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine (PubChem CID 88808899) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is (Z,2Z)-2-benzylidene-N-[1-(2-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine.

Molecular Properties

Compound Name(Z,2Z)-2-benzylidene-N-[1-(2-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine
PubChem CID88808899
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name(Z,2Z)-2-benzylidene-N-[1-(2-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine
SMILESCCC(O/N=C1/CCCC/C1=C/c1ccccc1)N1CCNCC1C
InChIInChI=1S/C21H31N3O/c1-3-21(24-14-13-22-16-17(24)2)25-23-20-12-8-7-11-19(20)15-18-9-5-4-6-10-18/h4-6,9-10,15,17,21-22H,3,7-8,11-14,16H2,1-2H3/b19-15-,23-20-
InChIKeyMWVBIOVXBBEVMX-LRLZIJSPSA-N
XLogP4.05
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E,2E)-N-[2-(2-benzylpiperazin-1-yl)ethoxy]-2-[(4-fluorophenyl)methylidene]-6-pentylcyclohexan-1-imine
CID 88397107
(E,2E,6S)-N-[2-[(2R)-2-benzylpiperazin-1-yl]ethoxy]-2-[(4-fluorophenyl)methylidene]-6-pentylcyclohexan-1-imine
CID 88397110
1,1-bis(4-fluorophenyl)-N-(2-piperazin-1-ylethoxy)methanimine
CID 139775667
(6R)-N-[2-[(2S)-2-benzylpiperazin-1-yl]ethoxy]-2-[(4-fluorophenyl)methylidene]-6-pentylcyclohexan-1-imine
CID 173334128
(E,2E,6R)-N-[2-[(2S)-2-benzylpiperazin-1-yl]ethoxy]-2-[(4-fluorophenyl)methylidene]-6-pentylcyclohexan-1-imine
CID 177711036
(E,2E)-N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine
CID 9588352
(E,2E)-N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-pentylidenecyclohexan-1-imine
CID 9588356
2-[(E)-[1-(4-fluorophenyl)-4-piperidin-1-ylbutylidene]amino]oxyethanamine
CID 10662526
2-[(Z)-[1-(4-fluorophenyl)-4-piperidin-1-ylbutylidene]amino]oxyethanamine
CID 177440980
N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine
CID 3061113
N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-pentylidenecyclohexan-1-imine
CID 3061117
3-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]oxy-N,N-di(propan-2-yl)propan-1-amine
CID 14751988

Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-2-benzylidene-N-[1-(2-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine?
The IUPAC name of (Z,2Z)-2-benzylidene-N-[1-(2-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine (CID 88808899) is (Z,2Z)-2-benzylidene-N-[1-(2-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine.
What is the SMILES notation for (Z,2Z)-2-benzylidene-N-[1-(2-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine?
The canonical SMILES for (Z,2Z)-2-benzylidene-N-[1-(2-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine is CCC(O/N=C1/CCCC/C1=C/c1ccccc1)N1CCNCC1C.
What is the InChIKey of (Z,2Z)-2-benzylidene-N-[1-(2-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine?
The InChIKey is MWVBIOVXBBEVMX-LRLZIJSPSA-N. The full InChI is InChI=1S/C21H31N3O/c1-3-21(24-14-13-22-16-17(24)2)25-23-20-12-8-7-11-19(20)15-18-9-5-4-6-10-18/h4-6,9-10,15,17,21-22H,3,7-8,11-14,16H2,1-2H3/b19-15-,23-20-.
What are the key properties of (Z,2Z)-2-benzylidene-N-[1-(2-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine?
(Z,2Z)-2-benzylidene-N-[1-(2-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine has a molecular weight of 341.50 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-2-benzylidene-N-[1-(2-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine is sourced from PubChem (CID 88808899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).