[4-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine

C15H23N3 — CID 63172944

IUPAC[4-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H23N3/c1-13(2)12-17-8-10-18(11-9-17)15(16)14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3/b16-15+
InChIKeyUIVJBUSYKFVIGC-FOCLMDBBSA-N
MW245.37 g/mol
LogP2.29
Rot. Bonds3

About [4-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine

[4-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine (PubChem CID 63172944) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is [4-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine.

Molecular Properties

Compound Name[4-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine
PubChem CID63172944
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name[4-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H23N3/c1-13(2)12-17-8-10-18(11-9-17)15(16)14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3/b16-15+
InChIKeyUIVJBUSYKFVIGC-FOCLMDBBSA-N
XLogP2.29
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.29
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-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine?
The IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine (CID 63172944) is [4-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine.
What is the SMILES notation for [4-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine?
The canonical SMILES for [4-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine is [H]/N=C(\c1ccccc1)N1CCN(CC(C)C)CC1.
What is the InChIKey of [4-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine?
The InChIKey is UIVJBUSYKFVIGC-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H23N3/c1-13(2)12-17-8-10-18(11-9-17)15(16)14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3/b16-15+.
What are the key properties of [4-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine?
[4-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine has a molecular weight of 245.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine is sourced from PubChem (CID 63172944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).