1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine

C17H25ClN2 — CID 107901764

IUPAC1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine
SMILESCCC1(CC)CNC(c2ccccc2)CN1C/C=C/Cl
InChIInChI=1S/C17H25ClN2/c1-3-17(4-2)14-19-16(13-20(17)12-8-11-18)15-9-6-5-7-10-15/h5-11,16,19H,3-4,12-14H2,1-2H3/b11-8+
InChIKeyYDCRKFWMJIFUAX-DHZHZOJOSA-N
MW292.85 g/mol
LogP3.94
Rot. Bonds5

About 1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine

1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine (PubChem CID 107901764) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine
PubChem CID107901764
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine
SMILESCCC1(CC)CNC(c2ccccc2)CN1C/C=C/Cl
InChIInChI=1S/C17H25ClN2/c1-3-17(4-2)14-19-16(13-20(17)12-8-11-18)15-9-6-5-7-10-15/h5-11,16,19H,3-4,12-14H2,1-2H3/b11-8+
InChIKeyYDCRKFWMJIFUAX-DHZHZOJOSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutylmethyl)-2,2-diethyl-5-phenylpiperazine
CID 65462682
1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine
CID 114014146
1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine
CID 107901367
1-(cyclopentylmethyl)-2-ethyl-2-methyl-5-phenylpiperazine
CID 64876896
2-ethyl-1-(2-ethylbutyl)-2-methyl-5-phenylpiperazine
CID 82926530
1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine
CID 64878048
8-phenyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane
CID 64877089
2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine
CID 64876319
6-benzyl-8-phenyl-6,9-diazaspiro[4.5]decane
CID 64877476
2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64877853
2-cyclopropyl-2-methyl-1-pentyl-5-phenylpiperazine
CID 64876131
2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine
CID 64877661

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine (CID 107901764) is 1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine is CCC1(CC)CNC(c2ccccc2)CN1C/C=C/Cl.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine?
The InChIKey is YDCRKFWMJIFUAX-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-3-17(4-2)14-19-16(13-20(17)12-8-11-18)15-9-6-5-7-10-15/h5-11,16,19H,3-4,12-14H2,1-2H3/b11-8+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine?
1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine has a molecular weight of 292.85 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine is sourced from PubChem (CID 107901764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).