2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine

C17H27ClN2 — CID 64839733

IUPAC2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine
SMILESCC1(C)CN(Cc2ccccc2Cl)C(C(C)(C)C)CN1
InChIInChI=1S/C17H27ClN2/c1-16(2,3)15-10-19-17(4,5)12-20(15)11-13-8-6-7-9-14(13)18/h6-9,15,19H,10-12H2,1-5H3
InChIKeyCRWYHMQJVYIGTA-UHFFFAOYSA-N
MW294.87 g/mol
LogP3.94
Rot. Bonds2

About 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine

2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine (PubChem CID 64839733) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine
PubChem CID64839733
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine
SMILESCC1(C)CN(Cc2ccccc2Cl)C(C(C)(C)C)CN1
InChIInChI=1S/C17H27ClN2/c1-16(2,3)15-10-19-17(4,5)12-20(15)11-13-8-6-7-9-14(13)18/h6-9,15,19H,10-12H2,1-5H3
InChIKeyCRWYHMQJVYIGTA-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-1-[(2-chloro-4-fluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64839722
1-benzyl-2-tert-butyl-5,5-dimethylpiperazine
CID 64839732
2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64839540
1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine
CID 64839735
2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine
CID 64862053
1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine
CID 102862477
2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64840094
1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 107310470
5-tert-butyl-1-[(2-chlorophenyl)methyl]-2-methylpiperazine
CID 64842975
2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine
CID 65317510
2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine
CID 64940709
1-[(2,3-dichlorophenyl)methyl]-3,3,7-trimethyl-1,4-diazepane
CID 107310541

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine?
The IUPAC name of 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine (CID 64839733) is 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine?
The canonical SMILES for 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine is CC1(C)CN(Cc2ccccc2Cl)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine?
The InChIKey is CRWYHMQJVYIGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-16(2,3)15-10-19-17(4,5)12-20(15)11-13-8-6-7-9-14(13)18/h6-9,15,19H,10-12H2,1-5H3.
What are the key properties of 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine?
2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine has a molecular weight of 294.87 g/mol, XLogP of 3.94, 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-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine is sourced from PubChem (CID 64839733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).