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

C15H27ClN2 — CID 114014141

IUPAC1-[(E)-3-chloroprop-2-enyl]-2-cyclopropyl-5,5-diethyl-2-methylpiperazine
SMILESCCC1(CC)CN(C/C=C/Cl)C(C)(C2CC2)CN1
InChIInChI=1S/C15H27ClN2/c1-4-15(5-2)12-18(10-6-9-16)14(3,11-17-15)13-7-8-13/h6,9,13,17H,4-5,7-8,10-12H2,1-3H3/b9-6+
InChIKeyGSWLRSYHHFBALH-RMKNXTFCSA-N
MW270.85 g/mol
LogP3.37
Rot. Bonds5

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

1-[(E)-3-chloroprop-2-enyl]-2-cyclopropyl-5,5-diethyl-2-methylpiperazine (PubChem CID 114014141) has the molecular formula C15H27ClN2 and a molecular weight of 270.85 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-2-cyclopropyl-5,5-diethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-2-cyclopropyl-5,5-diethyl-2-methylpiperazine
PubChem CID114014141
Molecular FormulaC15H27ClN2
Molecular Weight270.85 g/mol
Exact Mass270.19
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-2-cyclopropyl-5,5-diethyl-2-methylpiperazine
SMILESCCC1(CC)CN(C/C=C/Cl)C(C)(C2CC2)CN1
InChIInChI=1S/C15H27ClN2/c1-4-15(5-2)12-18(10-6-9-16)14(3,11-17-15)13-7-8-13/h6,9,13,17H,4-5,7-8,10-12H2,1-3H3/b9-6+
InChIKeyGSWLRSYHHFBALH-RMKNXTFCSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.85
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-5,5-diethyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 115943677
1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine
CID 107901683
2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine
CID 107901805
2,5-dicyclopropyl-1-ethyl-2,5-dimethylpiperazine
CID 64859833
1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine
CID 107901496
1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 107901666
1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine
CID 114014146
1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
CID 107898082
2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-2,5-dimethylpiperazine
CID 81114433
1-[(E)-but-2-enyl]-2-cyclopropyl-2,5-dimethylpiperazine
CID 107897896
1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 107901484
2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine
CID 106732968

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-2-cyclopropyl-5,5-diethyl-2-methylpiperazine?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-2-cyclopropyl-5,5-diethyl-2-methylpiperazine (CID 114014141) is 1-[(E)-3-chloroprop-2-enyl]-2-cyclopropyl-5,5-diethyl-2-methylpiperazine.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-2-cyclopropyl-5,5-diethyl-2-methylpiperazine?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-2-cyclopropyl-5,5-diethyl-2-methylpiperazine is CCC1(CC)CN(C/C=C/Cl)C(C)(C2CC2)CN1.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-2-cyclopropyl-5,5-diethyl-2-methylpiperazine?
The InChIKey is GSWLRSYHHFBALH-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H27ClN2/c1-4-15(5-2)12-18(10-6-9-16)14(3,11-17-15)13-7-8-13/h6,9,13,17H,4-5,7-8,10-12H2,1-3H3/b9-6+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-2-cyclopropyl-5,5-diethyl-2-methylpiperazine?
1-[(E)-3-chloroprop-2-enyl]-2-cyclopropyl-5,5-diethyl-2-methylpiperazine has a molecular weight of 270.85 g/mol, XLogP of 3.37, 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-cyclopropyl-5,5-diethyl-2-methylpiperazine is sourced from PubChem (CID 114014141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).