1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine

C13H25ClN2 — CID 106440350

IUPAC1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine
SMILESCC(=CCl)CN1CC(C)NCC1CC(C)C
InChIInChI=1S/C13H25ClN2/c1-10(2)5-13-7-15-12(4)9-16(13)8-11(3)6-14/h6,10,12-13,15H,5,7-9H2,1-4H3
InChIKeyJOGDRSZBOMJJKG-UHFFFAOYSA-N
MW244.81 g/mol
LogP2.84
Rot. Bonds4

About 1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine

1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine (PubChem CID 106440350) has the molecular formula C13H25ClN2 and a molecular weight of 244.81 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine
PubChem CID106440350
Molecular FormulaC13H25ClN2
Molecular Weight244.81 g/mol
Exact Mass244.17
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine
SMILESCC(=CCl)CN1CC(C)NCC1CC(C)C
InChIInChI=1S/C13H25ClN2/c1-10(2)5-13-7-15-12(4)9-16(13)8-11(3)6-14/h6,10,12-13,15H,5,7-9H2,1-4H3
InChIKeyJOGDRSZBOMJJKG-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.81
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine
CID 106440349
1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine
CID 114188917
1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine
CID 106439468
1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 106732837
1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 64845397
5-methyl-2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)piperazine
CID 82247109
1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
CID 64845583
1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
CID 65317842
5-methyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine
CID 64845781
5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine
CID 64845965
5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine
CID 106440439
2-[(2S,5S,8S,11S)-7,10-bis(carboxymethyl)-2,5,8,11-tetrakis(2-methylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 153325403

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine (CID 106440350) is 1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine is CC(=CCl)CN1CC(C)NCC1CC(C)C.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine?
The InChIKey is JOGDRSZBOMJJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2/c1-10(2)5-13-7-15-12(4)9-16(13)8-11(3)6-14/h6,10,12-13,15H,5,7-9H2,1-4H3.
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine?
1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine has a molecular weight of 244.81 g/mol, XLogP of 2.84, 4 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-methyl-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 106440350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).