(4-benzylpiperazin-1-yl)-cyclohexylmethanimine

C18H27N3 — CID 63178264

IUPAC(4-benzylpiperazin-1-yl)-cyclohexylmethanimine
SMILES[H]/N=C(\C1CCCCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H27N3/c19-18(17-9-5-2-6-10-17)21-13-11-20(12-14-21)15-16-7-3-1-4-8-16/h1,3-4,7-8,17,19H,2,5-6,9-15H2/b19-18+
InChIKeyAEAUEQDJTHKJBN-VHEBQXMUSA-N
MW285.43 g/mol
LogP3.36
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-cyclohexylmethanimine

(4-benzylpiperazin-1-yl)-cyclohexylmethanimine (PubChem CID 63178264) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-cyclohexylmethanimine.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-cyclohexylmethanimine
PubChem CID63178264
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name(4-benzylpiperazin-1-yl)-cyclohexylmethanimine
SMILES[H]/N=C(\C1CCCCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H27N3/c19-18(17-9-5-2-6-10-17)21-13-11-20(12-14-21)15-16-7-3-1-4-8-16/h1,3-4,7-8,17,19H,2,5-6,9-15H2/b19-18+
InChIKeyAEAUEQDJTHKJBN-VHEBQXMUSA-N
XLogP3.36
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.36
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-benzylpiperazin-1-yl)-cyclohexylmethanimine?
The IUPAC name of (4-benzylpiperazin-1-yl)-cyclohexylmethanimine (CID 63178264) is (4-benzylpiperazin-1-yl)-cyclohexylmethanimine.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-cyclohexylmethanimine?
The canonical SMILES for (4-benzylpiperazin-1-yl)-cyclohexylmethanimine is [H]/N=C(\C1CCCCC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-cyclohexylmethanimine?
The InChIKey is AEAUEQDJTHKJBN-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H27N3/c19-18(17-9-5-2-6-10-17)21-13-11-20(12-14-21)15-16-7-3-1-4-8-16/h1,3-4,7-8,17,19H,2,5-6,9-15H2/b19-18+.
What are the key properties of (4-benzylpiperazin-1-yl)-cyclohexylmethanimine?
(4-benzylpiperazin-1-yl)-cyclohexylmethanimine has a molecular weight of 285.43 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-cyclohexylmethanimine is sourced from PubChem (CID 63178264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).