(4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanimine

C18H27N3 — CID 91292746

IUPAC(4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanimine
SMILES[H]/N=C(\c1ccc(C)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H27N3/c1-15-7-9-16(10-8-15)18(19)21-13-11-20(12-14-21)17-5-3-2-4-6-17/h7-10,17,19H,2-6,11-14H2,1H3/b19-18+
InChIKeyQHIWCQAKTCKXQN-VHEBQXMUSA-N
MW285.44 g/mol
LogP3.27
Rot. Bonds2

About (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanimine

(4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanimine (PubChem CID 91292746) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanimine
PubChem CID91292746
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanimine
SMILES[H]/N=C(\c1ccc(C)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H27N3/c1-15-7-9-16(10-8-15)18(19)21-13-11-20(12-14-21)17-5-3-2-4-6-17/h7-10,17,19H,2-6,11-14H2,1H3/b19-18+
InChIKeyQHIWCQAKTCKXQN-VHEBQXMUSA-N
XLogP3.27
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanimine?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanimine (CID 91292746) is (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanimine.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanimine?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanimine is [H]/N=C(\c1ccc(C)cc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanimine?
The InChIKey is QHIWCQAKTCKXQN-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H27N3/c1-15-7-9-16(10-8-15)18(19)21-13-11-20(12-14-21)17-5-3-2-4-6-17/h7-10,17,19H,2-6,11-14H2,1H3/b19-18+.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanimine?
(4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanimine has a molecular weight of 285.44 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanimine is sourced from PubChem (CID 91292746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).