2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine

C13H25ClN2 — CID 106440349

IUPAC2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine
SMILESCC(=CCl)CN1CC(C)NCC1C(C)(C)C
InChIInChI=1S/C13H25ClN2/c1-10(6-14)8-16-9-11(2)15-7-12(16)13(3,4)5/h6,11-12,15H,7-9H2,1-5H3
InChIKeyKHTMRIQPAZNBHU-UHFFFAOYSA-N
MW244.81 g/mol
LogP2.84
Rot. Bonds2

About 2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine

2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine (PubChem CID 106440349) has the molecular formula C13H25ClN2 and a molecular weight of 244.81 g/mol. Its IUPAC name is 2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine
PubChem CID106440349
Molecular FormulaC13H25ClN2
Molecular Weight244.81 g/mol
Exact Mass244.17
IUPAC Name2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine
SMILESCC(=CCl)CN1CC(C)NCC1C(C)(C)C
InChIInChI=1S/C13H25ClN2/c1-10(6-14)8-16-9-11(2)15-7-12(16)13(3,4)5/h6,11-12,15H,7-9H2,1-5H3
InChIKeyKHTMRIQPAZNBHU-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 106440350
1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine
CID 114188917
2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine
CID 64845180
2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64844981
2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64845759
2-tert-butyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592038
2-tert-butyl-5-methyl-1-pentylpiperazine
CID 64844984
2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine
CID 64845564
2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine
CID 64845947
1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine
CID 106440351
2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64845762
1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine
CID 106440342

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine?
The IUPAC name of 2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine (CID 106440349) is 2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine?
The canonical SMILES for 2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine is CC(=CCl)CN1CC(C)NCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine?
The InChIKey is KHTMRIQPAZNBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2/c1-10(6-14)8-16-9-11(2)15-7-12(16)13(3,4)5/h6,11-12,15H,7-9H2,1-5H3.
What are the key properties of 2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine?
2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine has a molecular weight of 244.81 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine is sourced from PubChem (CID 106440349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).