1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine

C17H27ClN2 — CID 64848563

IUPAC1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(Cc2cccc(Cl)c2)C(C)(C)CN1
InChIInChI=1S/C17H27ClN2/c1-13(2)8-16-11-20(17(3,4)12-19-16)10-14-6-5-7-15(18)9-14/h5-7,9,13,16,19H,8,10-12H2,1-4H3
InChIKeyGSLNCUFWYSGTIA-UHFFFAOYSA-N
MW294.87 g/mol
LogP3.94
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine

1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine (PubChem CID 64848563) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
PubChem CID64848563
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(Cc2cccc(Cl)c2)C(C)(C)CN1
InChIInChI=1S/C17H27ClN2/c1-13(2)8-16-11-20(17(3,4)12-19-16)10-14-6-5-7-15(18)9-14/h5-7,9,13,16,19H,8,10-12H2,1-4H3
InChIKeyGSLNCUFWYSGTIA-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64859758
1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 106870372
6-benzyl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848189
1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 64848565
2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82870890
(5R)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985398
1-[(3,4-dichlorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
CID 64839775
(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
CID 71174749
1-[(3,4-dichlorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64844520
1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 113474537
2,2-dimethyl-1-(2-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64849914
1-[(3,4-difluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 82923713

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine (CID 64848563) is 1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine is CC(C)CC1CN(Cc2cccc(Cl)c2)C(C)(C)CN1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine?
The InChIKey is GSLNCUFWYSGTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13(2)8-16-11-20(17(3,4)12-19-16)10-14-6-5-7-15(18)9-14/h5-7,9,13,16,19H,8,10-12H2,1-4H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine?
1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine has a molecular weight of 294.87 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64848563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).