1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine

C11H21ClN2 — CID 107901496

IUPAC1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1C/C=C/Cl
InChIInChI=1S/C11H21ClN2/c1-4-10-8-13-11(2,3)9-14(10)7-5-6-12/h5-6,10,13H,4,7-9H2,1-3H3/b6-5+
InChIKeyOVYIOUFGEVCANS-AATRIKPKSA-N
MW216.76 g/mol
LogP2.20
Rot. Bonds3

About 1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine

1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine (PubChem CID 107901496) has the molecular formula C11H21ClN2 and a molecular weight of 216.76 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine
PubChem CID107901496
Molecular FormulaC11H21ClN2
Molecular Weight216.76 g/mol
Exact Mass216.14
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1C/C=C/Cl
InChIInChI=1S/C11H21ClN2/c1-4-10-8-13-11(2,3)9-14(10)7-5-6-12/h5-6,10,13H,4,7-9H2,1-3H3/b6-5+
InChIKeyOVYIOUFGEVCANS-AATRIKPKSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.76
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 107901666
9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 114014122
5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2,4-oxadiazole
CID 64946367
2-ethyl-5,5-dimethyl-1-[(2-methylcyclohexyl)methyl]piperazine
CID 64945745
2-ethyl-5,5-dimethyl-1-(1-methylcyclopentyl)piperazine
CID 64940144
3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408622
5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644864
1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64840451
2-ethyl-1-(2-ethylhexyl)-5,5-dimethylpiperazine
CID 64838710
2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine
CID 64940709
1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 114934579
5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64947439

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine (CID 107901496) is 1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine is CCC1CNC(C)(C)CN1C/C=C/Cl.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine?
The InChIKey is OVYIOUFGEVCANS-AATRIKPKSA-N. The full InChI is InChI=1S/C11H21ClN2/c1-4-10-8-13-11(2,3)9-14(10)7-5-6-12/h5-6,10,13H,4,7-9H2,1-3H3/b6-5+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine?
1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine has a molecular weight of 216.76 g/mol, XLogP of 2.20, 3 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-ethyl-5,5-dimethylpiperazine is sourced from PubChem (CID 107901496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).