1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methyl-2-propylpiperazine

C15H27ClN2 — CID 114188949

IUPAC1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)(C2CC2)CN1CC(C)=CCl
InChIInChI=1S/C15H27ClN2/c1-4-5-14-9-17-15(3,13-6-7-13)11-18(14)10-12(2)8-16/h8,13-14,17H,4-7,9-11H2,1-3H3
InChIKeyIRYDYUMHOILHAS-UHFFFAOYSA-N
MW270.85 g/mol
LogP3.37
Rot. Bonds5

About 1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methyl-2-propylpiperazine

1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methyl-2-propylpiperazine (PubChem CID 114188949) has the molecular formula C15H27ClN2 and a molecular weight of 270.85 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methyl-2-propylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methyl-2-propylpiperazine
PubChem CID114188949
Molecular FormulaC15H27ClN2
Molecular Weight270.85 g/mol
Exact Mass270.19
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)(C2CC2)CN1CC(C)=CCl
InChIInChI=1S/C15H27ClN2/c1-4-5-14-9-17-15(3,13-6-7-13)11-18(14)10-12(2)8-16/h8,13-14,17H,4-7,9-11H2,1-3H3
InChIKeyIRYDYUMHOILHAS-UHFFFAOYSA-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-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methylpiperazine
CID 106440507
2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine
CID 64876536
1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine
CID 64876915
1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine
CID 104812552
5-cyclopropyl-1-ethyl-5-methyl-2-(2-methylpropyl)piperazine
CID 64876945
5-cyclopropyl-5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-2-propylpiperazine
CID 64876913
5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine
CID 64876529
1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 114188941
1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine
CID 106440351
1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 107901666
5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine
CID 64933328
1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylazetidin-3-ol
CID 106439867

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methyl-2-propylpiperazine?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methyl-2-propylpiperazine (CID 114188949) is 1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methyl-2-propylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methyl-2-propylpiperazine?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methyl-2-propylpiperazine is CCCC1CNC(C)(C2CC2)CN1CC(C)=CCl.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methyl-2-propylpiperazine?
The InChIKey is IRYDYUMHOILHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN2/c1-4-5-14-9-17-15(3,13-6-7-13)11-18(14)10-12(2)8-16/h8,13-14,17H,4-7,9-11H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methyl-2-propylpiperazine?
1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methyl-2-propylpiperazine 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-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methyl-2-propylpiperazine is sourced from PubChem (CID 114188949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).