1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine

C8H15ClN2 — CID 65448653

IUPAC1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine
SMILESCC1CN(C/C=C/Cl)CCN1
InChIInChI=1S/C8H15ClN2/c1-8-7-11(5-2-3-9)6-4-10-8/h2-3,8,10H,4-7H2,1H3/b3-2+
InChIKeyIFLJVFHOCPMTMT-NSCUHMNNSA-N
MW174.67 g/mol
LogP1.03
Rot. Bonds2

About 1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine

1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine (PubChem CID 65448653) has the molecular formula C8H15ClN2 and a molecular weight of 174.67 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine
PubChem CID65448653
Molecular FormulaC8H15ClN2
Molecular Weight174.67 g/mol
Exact Mass174.09
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine
SMILESCC1CN(C/C=C/Cl)CCN1
InChIInChI=1S/C8H15ClN2/c1-8-7-11(5-2-3-9)6-4-10-8/h2-3,8,10H,4-7H2,1H3/b3-2+
InChIKeyIFLJVFHOCPMTMT-NSCUHMNNSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-methyl-1-[(E)-4-methylpent-2-enyl]piperazine
CID 168934429
1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine
CID 131232303
1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine
CID 107901367
1-[(E)-3-chloroprop-2-enyl]-3-(2-methylpropyl)-1,4-diazepane
CID 107901910
1-[(E)-3-cyclopropylprop-2-enyl]-3-methyl-1,4-diazepane
CID 131234517
1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine
CID 60979508
1-(2,2-dimethylpropyl)-3-methylpiperazine
CID 59519991
3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 65448835
(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 104975435
3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 103815505
3-methyl-1-prop-2-ynylpiperazine
CID 64926095
3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine
CID 79351237

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine (CID 65448653) is 1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine is CC1CN(C/C=C/Cl)CCN1.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine?
The InChIKey is IFLJVFHOCPMTMT-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H15ClN2/c1-8-7-11(5-2-3-9)6-4-10-8/h2-3,8,10H,4-7H2,1H3/b3-2+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine?
1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine has a molecular weight of 174.67 g/mol, XLogP of 1.03, 2 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]-3-methylpiperazine is sourced from PubChem (CID 65448653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).