1-methyl-4-(3-phenylbut-2-enyl)piperazine

C15H22N2 — CID 76612314

IUPAC1-methyl-4-(3-phenylbut-2-enyl)piperazine
SMILESCC(=CCN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C15H22N2/c1-14(15-6-4-3-5-7-15)8-9-17-12-10-16(2)11-13-17/h3-8H,9-13H2,1-2H3
InChIKeyRJMGSNFWRAEUIL-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.34
Rot. Bonds3

About 1-methyl-4-(3-phenylbut-2-enyl)piperazine

1-methyl-4-(3-phenylbut-2-enyl)piperazine (PubChem CID 76612314) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-methyl-4-(3-phenylbut-2-enyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3-phenylbut-2-enyl)piperazine
PubChem CID76612314
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1-methyl-4-(3-phenylbut-2-enyl)piperazine
SMILESCC(=CCN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C15H22N2/c1-14(15-6-4-3-5-7-15)8-9-17-12-10-16(2)11-13-17/h3-8H,9-13H2,1-2H3
InChIKeyRJMGSNFWRAEUIL-UHFFFAOYSA-N
XLogP2.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine
CID 70595509
1-benzyl-4-methylpiperazine;formic acid
CID 54605116
benzoic acid;1,4-dimethylpiperazine
CID 166460840
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581
[(Z)-4-bromobut-2-en-2-yl]benzene
CID 68809722
1-[(Z)-2-phenylprop-1-enyl]aziridine
CID 87132052
(E)-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbut-2-enamide
CID 110312545
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
2,8-diphenylnona-2,7-dien-5-one
CID 139864359
1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine
CID 70921626
N'-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 83024710
iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc
CID 135060356

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-phenylbut-2-enyl)piperazine?
The IUPAC name of 1-methyl-4-(3-phenylbut-2-enyl)piperazine (CID 76612314) is 1-methyl-4-(3-phenylbut-2-enyl)piperazine.
What is the SMILES notation for 1-methyl-4-(3-phenylbut-2-enyl)piperazine?
The canonical SMILES for 1-methyl-4-(3-phenylbut-2-enyl)piperazine is CC(=CCN1CCN(C)CC1)c1ccccc1.
What is the InChIKey of 1-methyl-4-(3-phenylbut-2-enyl)piperazine?
The InChIKey is RJMGSNFWRAEUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-14(15-6-4-3-5-7-15)8-9-17-12-10-16(2)11-13-17/h3-8H,9-13H2,1-2H3.
What are the key properties of 1-methyl-4-(3-phenylbut-2-enyl)piperazine?
1-methyl-4-(3-phenylbut-2-enyl)piperazine has a molecular weight of 230.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-phenylbut-2-enyl)piperazine is sourced from PubChem (CID 76612314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).