1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine

C9H17ClN2 — CID 131236986

IUPAC1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine
SMILESCC1CN(C)CCN1C/C=C/Cl
InChIInChI=1S/C9H17ClN2/c1-9-8-11(2)6-7-12(9)5-3-4-10/h3-4,9H,5-8H2,1-2H3/b4-3+
InChIKeyCRHNFQQAJBPFJB-ONEGZZNKSA-N
MW188.70 g/mol
LogP1.37
Rot. Bonds2

About 1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine

1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine (PubChem CID 131236986) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine
PubChem CID131236986
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine
SMILESCC1CN(C)CCN1C/C=C/Cl
InChIInChI=1S/C9H17ClN2/c1-9-8-11(2)6-7-12(9)5-3-4-10/h3-4,9H,5-8H2,1-2H3/b4-3+
InChIKeyCRHNFQQAJBPFJB-ONEGZZNKSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine
CID 131232946
(2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine
CID 131246025
2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 66568123
(Z)-2-[2-(2,4-dimethylpiperazin-1-yl)ethylideneamino]ethenamine
CID 121451203
(2S)-2,4-dimethyl-1-(2-methylpropyl)piperazine
CID 171515421
1-(3-iodopropyl)-2,4-dimethylpiperazine
CID 126995640
(2R)-1-(cyclobutylmethyl)-2,4-dimethylpiperazine
CID 130719012
2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile
CID 142979155
1-benzyl-2,4-dimethylpiperazine;ethane
CID 145145723
9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol
CID 114086760
1-cyclopentyl-3-(2,4-dimethylpiperazin-1-yl)propan-2-ol
CID 103259322
5-(3-chloroprop-2-enyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 77114848

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine (CID 131236986) is 1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine is CC1CN(C)CCN1C/C=C/Cl.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine?
The InChIKey is CRHNFQQAJBPFJB-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H17ClN2/c1-9-8-11(2)6-7-12(9)5-3-4-10/h3-4,9H,5-8H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine?
1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine has a molecular weight of 188.70 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine is sourced from PubChem (CID 131236986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).