(Z)-N-[4-[4-(4-methylphenyl)butyl]piperazin-1-yl]ethanimine

C17H27N3 — CID 70951124

IUPAC(Z)-N-[4-[4-(4-methylphenyl)butyl]piperazin-1-yl]ethanimine
SMILESC/C=N\N1CCN(CCCCc2ccc(C)cc2)CC1
InChIInChI=1S/C17H27N3/c1-3-18-20-14-12-19(13-15-20)11-5-4-6-17-9-7-16(2)8-10-17/h3,7-10H,4-6,11-15H2,1-2H3/b18-3-
InChIKeyPYQDDTGENVKNCM-ZUWFHJRGSA-N
MW273.42 g/mol
LogP2.94
Rot. Bonds6

About (Z)-N-[4-[4-(4-methylphenyl)butyl]piperazin-1-yl]ethanimine

(Z)-N-[4-[4-(4-methylphenyl)butyl]piperazin-1-yl]ethanimine (PubChem CID 70951124) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is (Z)-N-[4-[4-(4-methylphenyl)butyl]piperazin-1-yl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[4-[4-(4-methylphenyl)butyl]piperazin-1-yl]ethanimine
PubChem CID70951124
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name(Z)-N-[4-[4-(4-methylphenyl)butyl]piperazin-1-yl]ethanimine
SMILESC/C=N\N1CCN(CCCCc2ccc(C)cc2)CC1
InChIInChI=1S/C17H27N3/c1-3-18-20-14-12-19(13-15-20)11-5-4-6-17-9-7-16(2)8-10-17/h3,7-10H,4-6,11-15H2,1-2H3/b18-3-
InChIKeyPYQDDTGENVKNCM-ZUWFHJRGSA-N
XLogP2.94
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.94
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 (Z)-N-[4-[4-(4-methylphenyl)butyl]piperazin-1-yl]ethanimine?
The IUPAC name of (Z)-N-[4-[4-(4-methylphenyl)butyl]piperazin-1-yl]ethanimine (CID 70951124) is (Z)-N-[4-[4-(4-methylphenyl)butyl]piperazin-1-yl]ethanimine.
What is the SMILES notation for (Z)-N-[4-[4-(4-methylphenyl)butyl]piperazin-1-yl]ethanimine?
The canonical SMILES for (Z)-N-[4-[4-(4-methylphenyl)butyl]piperazin-1-yl]ethanimine is C/C=N\N1CCN(CCCCc2ccc(C)cc2)CC1.
What is the InChIKey of (Z)-N-[4-[4-(4-methylphenyl)butyl]piperazin-1-yl]ethanimine?
The InChIKey is PYQDDTGENVKNCM-ZUWFHJRGSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-18-20-14-12-19(13-15-20)11-5-4-6-17-9-7-16(2)8-10-17/h3,7-10H,4-6,11-15H2,1-2H3/b18-3-.
What are the key properties of (Z)-N-[4-[4-(4-methylphenyl)butyl]piperazin-1-yl]ethanimine?
(Z)-N-[4-[4-(4-methylphenyl)butyl]piperazin-1-yl]ethanimine has a molecular weight of 273.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-[4-(4-methylphenyl)butyl]piperazin-1-yl]ethanimine is sourced from PubChem (CID 70951124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).