1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine

C16H24N2 — CID 782041

IUPAC1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine
SMILESC/C=C(/C)CN1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C16H24N2/c1-4-14(2)13-17-9-11-18(12-10-17)16-7-5-15(3)6-8-16/h4-8H,9-13H2,1-3H3/b14-4-
InChIKeyDNQSSBPVSHYEOZ-CPSFFCFKSA-N
MW244.38 g/mol
LogP3.08
Rot. Bonds3

About 1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine

1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine (PubChem CID 782041) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine
PubChem CID782041
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine
SMILESC/C=C(/C)CN1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C16H24N2/c1-4-14(2)13-17-9-11-18(12-10-17)16-7-5-15(3)6-8-16/h4-8H,9-13H2,1-3H3/b14-4-
InChIKeyDNQSSBPVSHYEOZ-CPSFFCFKSA-N
XLogP3.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone
CID 783727
2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 69030139
1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 51363194
1-[(E)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazin-1-ium
CID 6942733
1-(4-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
CID 5333510
2-[4-(4-methylphenyl)piperazin-1-yl]acetonitrile
CID 82113708
3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,2-diol
CID 71329061
1-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride
CID 161300230
1-[4-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 74813973
ethane;1-ethyl-4-(4-methylphenyl)-1,4-diazepane
CID 177351014
1-[2-(4-tert-butylpiperidin-1-yl)ethyl]-4-(4-methylphenyl)piperazine
CID 171069605
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine?
The IUPAC name of 1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine (CID 782041) is 1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine.
What is the SMILES notation for 1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine?
The canonical SMILES for 1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine is C/C=C(/C)CN1CCN(c2ccc(C)cc2)CC1.
What is the InChIKey of 1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine?
The InChIKey is DNQSSBPVSHYEOZ-CPSFFCFKSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-14(2)13-17-9-11-18(12-10-17)16-7-5-15(3)6-8-16/h4-8H,9-13H2,1-3H3/b14-4-.
What are the key properties of 1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine?
1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine has a molecular weight of 244.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 782041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).