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

C14H25ClN2 — CID 114014146

IUPAC1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine
SMILESCCC1(CC)CNC(C2CC2)CN1C/C=C/Cl
InChIInChI=1S/C14H25ClN2/c1-3-14(4-2)11-16-13(12-6-7-12)10-17(14)9-5-8-15/h5,8,12-13,16H,3-4,6-7,9-11H2,1-2H3/b8-5+
InChIKeyVAYOUYFKXRCQRN-VMPITWQZSA-N
MW256.82 g/mol
LogP2.98
Rot. Bonds5

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

1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine (PubChem CID 114014146) has the molecular formula C14H25ClN2 and a molecular weight of 256.82 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine
PubChem CID114014146
Molecular FormulaC14H25ClN2
Molecular Weight256.82 g/mol
Exact Mass256.17
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine
SMILESCCC1(CC)CNC(C2CC2)CN1C/C=C/Cl
InChIInChI=1S/C14H25ClN2/c1-3-14(4-2)11-16-13(12-6-7-12)10-17(14)9-5-8-15/h5,8,12-13,16H,3-4,6-7,9-11H2,1-2H3/b8-5+
InChIKeyVAYOUYFKXRCQRN-VMPITWQZSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.82
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine
CID 107901764
5-cyclopropyl-2,2-diethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64860346
5-cyclopropyl-2,2-diethyl-1-[(4-iodophenyl)methyl]piperazine
CID 65491369
1-butyl-5-cyclohexyl-2,2-diethylpiperazine
CID 64861362
5-cyclopropyl-2,2-diethyl-1-propan-2-ylpiperazine
CID 64860922
5-cyclopropyl-2,2-diethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170489
1-[(E)-3-chloroprop-2-enyl]-2,2,5-triethyl-5-methylpiperazine
CID 107901683
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine
CID 64861306
1-[(E)-but-2-enyl]-2,2-diethyl-5-(2-methylpropyl)piperazine
CID 107897984
5-cyclopropyl-2-ethyl-2-methyl-1-propylpiperazine
CID 64862262
1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 107901484
5-cyclopropyl-2,2-diethyl-1-(oxolan-3-yl)piperazine
CID 64861692

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine (CID 114014146) is 1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine is CCC1(CC)CNC(C2CC2)CN1C/C=C/Cl.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine?
The InChIKey is VAYOUYFKXRCQRN-VMPITWQZSA-N. The full InChI is InChI=1S/C14H25ClN2/c1-3-14(4-2)11-16-13(12-6-7-12)10-17(14)9-5-8-15/h5,8,12-13,16H,3-4,6-7,9-11H2,1-2H3/b8-5+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine?
1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine has a molecular weight of 256.82 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-cyclopropyl-2,2-diethylpiperazine is sourced from PubChem (CID 114014146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).