1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine

C14H21ClN2 — CID 64937906

IUPAC1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(c2ccccc2Cl)C(C(C)C)CN1
InChIInChI=1S/C14H21ClN2/c1-10(2)14-8-16-11(3)9-17(14)13-7-5-4-6-12(13)15/h4-7,10-11,14,16H,8-9H2,1-3H3
InChIKeyGMWMRHUYCFSUJJ-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.16
Rot. Bonds2

About 1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine

1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64937906) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine
PubChem CID64937906
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(c2ccccc2Cl)C(C(C)C)CN1
InChIInChI=1S/C14H21ClN2/c1-10(2)14-8-16-11(3)9-17(14)13-7-5-4-6-12(13)15/h4-7,10-11,14,16H,8-9H2,1-3H3
InChIKeyGMWMRHUYCFSUJJ-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953891
1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937159
1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64954077
1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953690
1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952698
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371
5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine
CID 66356270
1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 107370881
1-(4-bromo-2-chlorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64935887
1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine
CID 64937611
1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64936447
2,5-di(propan-2-yl)-1-(2-propylphenyl)piperazine
CID 64938901

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine (CID 64937906) is 1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine is CC1CN(c2ccccc2Cl)C(C(C)C)CN1.
What is the InChIKey of 1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is GMWMRHUYCFSUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10(2)14-8-16-11(3)9-17(14)13-7-5-4-6-12(13)15/h4-7,10-11,14,16H,8-9H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine?
1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 252.79 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64937906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).