(E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine

C15H23N3 — CID 118737749

IUPAC(E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine
SMILESCCCC/C=N/N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H23N3/c1-2-3-7-10-16-18-13-11-17(12-14-18)15-8-5-4-6-9-15/h4-6,8-10H,2-3,7,11-14H2,1H3/b16-10+
InChIKeyKTCJLIICKJXQDU-MHWRWJLKSA-N
MW245.37 g/mol
LogP2.98
Rot. Bonds5

About (E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine

(E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine (PubChem CID 118737749) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is (E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine.

Molecular Properties

Compound Name(E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine
PubChem CID118737749
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name(E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine
SMILESCCCC/C=N/N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H23N3/c1-2-3-7-10-16-18-13-11-17(12-14-18)15-8-5-4-6-9-15/h4-6,8-10H,2-3,7,11-14H2,1H3/b16-10+
InChIKeyKTCJLIICKJXQDU-MHWRWJLKSA-N
XLogP2.98
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine?
The IUPAC name of (E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine (CID 118737749) is (E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine.
What is the SMILES notation for (E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine?
The canonical SMILES for (E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine is CCCC/C=N/N1CCN(c2ccccc2)CC1.
What is the InChIKey of (E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine?
The InChIKey is KTCJLIICKJXQDU-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-3-7-10-16-18-13-11-17(12-14-18)15-8-5-4-6-9-15/h4-6,8-10H,2-3,7,11-14H2,1H3/b16-10+.
What are the key properties of (E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine?
(E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine has a molecular weight of 245.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine is sourced from PubChem (CID 118737749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).