2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine

C16H25ClN2 — CID 64845947

IUPAC2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine
SMILESCC1CN(Cc2ccc(Cl)cc2)C(C(C)(C)C)CN1
InChIInChI=1S/C16H25ClN2/c1-12-10-19(15(9-18-12)16(2,3)4)11-13-5-7-14(17)8-6-13/h5-8,12,15,18H,9-11H2,1-4H3
InChIKeyXHVLXSQMGOPQJM-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.55
Rot. Bonds2

About 2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine

2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine (PubChem CID 64845947) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine
PubChem CID64845947
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine
SMILESCC1CN(Cc2ccc(Cl)cc2)C(C(C)(C)C)CN1
InChIInChI=1S/C16H25ClN2/c1-12-10-19(15(9-18-12)16(2,3)4)11-13-5-7-14(17)8-6-13/h5-8,12,15,18H,9-11H2,1-4H3
InChIKeyXHVLXSQMGOPQJM-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine
CID 64845564
2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine
CID 64846151
1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine
CID 64843504
2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64844786
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine
CID 64839049
2-tert-butyl-1-[(3-chlorophenyl)methyl]-5-cyclopropylpiperazine
CID 64861094
2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine
CID 64845180
2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64844981
(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
CID 86680328
(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
CID 71174749
(2S,5R)-1-[(3,4-difluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 162420385

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine?
The IUPAC name of 2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine (CID 64845947) is 2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine?
The canonical SMILES for 2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine is CC1CN(Cc2ccc(Cl)cc2)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine?
The InChIKey is XHVLXSQMGOPQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-12-10-19(15(9-18-12)16(2,3)4)11-13-5-7-14(17)8-6-13/h5-8,12,15,18H,9-11H2,1-4H3.
What are the key properties of 2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine?
2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine has a molecular weight of 280.84 g/mol, XLogP of 3.55, 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-[(4-chlorophenyl)methyl]-5-methylpiperazine is sourced from PubChem (CID 64845947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).