1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine

C13H25ClN2 — CID 107901666

IUPAC1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)(CC)CN1C/C=C/Cl
InChIInChI=1S/C13H25ClN2/c1-4-7-12-10-15-13(3,5-2)11-16(12)9-6-8-14/h6,8,12,15H,4-5,7,9-11H2,1-3H3/b8-6+
InChIKeyJWOWNXLOMCANAE-SOFGYWHQSA-N
MW244.81 g/mol
LogP2.98
Rot. Bonds5

About 1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine

1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine (PubChem CID 107901666) has the molecular formula C13H25ClN2 and a molecular weight of 244.81 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine
PubChem CID107901666
Molecular FormulaC13H25ClN2
Molecular Weight244.81 g/mol
Exact Mass244.17
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)(CC)CN1C/C=C/Cl
InChIInChI=1S/C13H25ClN2/c1-4-7-12-10-15-13(3,5-2)11-16(12)9-6-8-14/h6,8,12,15H,4-5,7,9-11H2,1-3H3/b8-6+
InChIKeyJWOWNXLOMCANAE-SOFGYWHQSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.81
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-but-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 107898018
1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine
CID 107901496
1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine
CID 106733118
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055835
5-ethyl-5-methyl-1-(3-phenylpropyl)-2-propylpiperazine
CID 64849061
1-butyl-2,5-diethyl-5-methylpiperazine
CID 64847702
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 64850024
1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine
CID 107901683
5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine
CID 114349594
1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 64849255
9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 114014122
5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 82924886

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine (CID 107901666) is 1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine is CCCC1CNC(C)(CC)CN1C/C=C/Cl.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine?
The InChIKey is JWOWNXLOMCANAE-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H25ClN2/c1-4-7-12-10-15-13(3,5-2)11-16(12)9-6-8-14/h6,8,12,15H,4-5,7,9-11H2,1-3H3/b8-6+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine?
1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine has a molecular weight of 244.81 g/mol, XLogP of 2.98, 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]-5-ethyl-5-methyl-2-propylpiperazine is sourced from PubChem (CID 107901666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).