1-[3-methyl-4-(3-methylbut-1-en-2-yl)phenyl]piperazine

C16H24N2 — CID 164919726

IUPAC1-[3-methyl-4-(3-methylbut-1-en-2-yl)phenyl]piperazine
SMILESC=C(c1ccc(N2CCNCC2)cc1C)C(C)C
InChIInChI=1S/C16H24N2/c1-12(2)14(4)16-6-5-15(11-13(16)3)18-9-7-17-8-10-18/h5-6,11-12,17H,4,7-10H2,1-3H3
InChIKeyVERQOPPLKLHZMQ-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.07
Rot. Bonds3

About 1-[3-methyl-4-(3-methylbut-1-en-2-yl)phenyl]piperazine

1-[3-methyl-4-(3-methylbut-1-en-2-yl)phenyl]piperazine (PubChem CID 164919726) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[3-methyl-4-(3-methylbut-1-en-2-yl)phenyl]piperazine.

Molecular Properties

Compound Name1-[3-methyl-4-(3-methylbut-1-en-2-yl)phenyl]piperazine
PubChem CID164919726
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[3-methyl-4-(3-methylbut-1-en-2-yl)phenyl]piperazine
SMILESC=C(c1ccc(N2CCNCC2)cc1C)C(C)C
InChIInChI=1S/C16H24N2/c1-12(2)14(4)16-6-5-15(11-13(16)3)18-9-7-17-8-10-18/h5-6,11-12,17H,4,7-10H2,1-3H3
InChIKeyVERQOPPLKLHZMQ-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 1-[3-methyl-4-(3-methylbut-1-en-2-yl)phenyl]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

4-(1,4-diazepan-1-yl)-2-methylbenzoic acid
CID 115760457
ethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine
CID 155722084
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
(2-methyl-5-piperazin-1-ylphenyl)methanol
CID 84779190
4-[4-(4-amino-3-methylphenyl)-1,4,7-triazonan-1-yl]-2-methylaniline
CID 23103839
1-(4-bromo-3-methylphenyl)piperazine;hydrochloride
CID 21071017
N,N,2-trimethyl-5-piperazin-1-ylaniline
CID 115378435
CID 174496529
CID 174496529
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
(2-methyl-4-piperazin-1-ylphenyl)-bis(2,4,6-trimethylphenyl)borane
CID 91745121
2-methyl-5-piperazin-1-ylbenzonitrile
CID 84670211
ethane;1-(3-methoxy-4-methylphenyl)piperazine
CID 144693036

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(3-methylbut-1-en-2-yl)phenyl]piperazine?
The IUPAC name of 1-[3-methyl-4-(3-methylbut-1-en-2-yl)phenyl]piperazine (CID 164919726) is 1-[3-methyl-4-(3-methylbut-1-en-2-yl)phenyl]piperazine.
What is the SMILES notation for 1-[3-methyl-4-(3-methylbut-1-en-2-yl)phenyl]piperazine?
The canonical SMILES for 1-[3-methyl-4-(3-methylbut-1-en-2-yl)phenyl]piperazine is C=C(c1ccc(N2CCNCC2)cc1C)C(C)C.
What is the InChIKey of 1-[3-methyl-4-(3-methylbut-1-en-2-yl)phenyl]piperazine?
The InChIKey is VERQOPPLKLHZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(2)14(4)16-6-5-15(11-13(16)3)18-9-7-17-8-10-18/h5-6,11-12,17H,4,7-10H2,1-3H3.
What are the key properties of 1-[3-methyl-4-(3-methylbut-1-en-2-yl)phenyl]piperazine?
1-[3-methyl-4-(3-methylbut-1-en-2-yl)phenyl]piperazine has a molecular weight of 244.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(3-methylbut-1-en-2-yl)phenyl]piperazine is sourced from PubChem (CID 164919726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).