1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine

C15H21ClN2 — CID 114188917

IUPAC1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine
SMILESC/C(=C\Cl)CN1CC(C)NCC1c1ccccc1
InChIInChI=1S/C15H21ClN2/c1-12(8-16)10-18-11-13(2)17-9-15(18)14-6-4-3-5-7-14/h3-8,13,15,17H,9-11H2,1-2H3/b12-8+
InChIKeyZIKFREGVWZHZBM-XYOKQWHBSA-N
MW264.80 g/mol
LogP3.16
Rot. Bonds3

About 1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine

1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine (PubChem CID 114188917) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine
PubChem CID114188917
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine
SMILESC/C(=C\Cl)CN1CC(C)NCC1c1ccccc1
InChIInChI=1S/C15H21ClN2/c1-12(8-16)10-18-11-13(2)17-9-15(18)14-6-4-3-5-7-14/h3-8,13,15,17H,9-11H2,1-2H3/b12-8+
InChIKeyZIKFREGVWZHZBM-XYOKQWHBSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine
CID 107901428
(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
CID 86680328
2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine
CID 106440349
5-methyl-1-octyl-2-phenylpiperazine
CID 64845541
1-heptyl-5-methyl-2-phenylpiperazine
CID 64846339
(2S,5R)-1-benzyl-2-(4-fluorophenyl)-5-methylpiperazine
CID 169115881
1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 106440350
1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine
CID 64846136
N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine
CID 64938924
1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine
CID 106440345
1-cyclopropyl-5-methyl-2-phenylpiperazine
CID 64954274
2-benzyl-1-[(Z)-3-chloro-2-methylprop-2-enyl]-5-cyclopropylpiperazine
CID 106440539

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine?
The IUPAC name of 1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine (CID 114188917) is 1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine.
What is the SMILES notation for 1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine?
The canonical SMILES for 1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine is C/C(=C\Cl)CN1CC(C)NCC1c1ccccc1.
What is the InChIKey of 1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine?
The InChIKey is ZIKFREGVWZHZBM-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-12(8-16)10-18-11-13(2)17-9-15(18)14-6-4-3-5-7-14/h3-8,13,15,17H,9-11H2,1-2H3/b12-8+.
What are the key properties of 1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine?
1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine has a molecular weight of 264.80 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine is sourced from PubChem (CID 114188917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).