1-(2-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine

C18H21ClN2 — CID 64933933

IUPAC1-(2-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine
SMILESCC1(C)CN(c2ccccc2Cl)C(c2ccccc2)CN1
InChIInChI=1S/C18H21ClN2/c1-18(2)13-21(16-11-7-6-10-15(16)19)17(12-20-18)14-8-4-3-5-9-14/h3-11,17,20H,12-13H2,1-2H3
InChIKeyIGUSADZXWLYGTM-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.27
Rot. Bonds2

About 1-(2-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine

1-(2-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine (PubChem CID 64933933) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine
PubChem CID64933933
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-(2-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine
SMILESCC1(C)CN(c2ccccc2Cl)C(c2ccccc2)CN1
InChIInChI=1S/C18H21ClN2/c1-18(2)13-21(16-11-7-6-10-15(16)19)17(12-20-18)14-8-4-3-5-9-14/h3-11,17,20H,12-13H2,1-2H3
InChIKeyIGUSADZXWLYGTM-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine?
The IUPAC name of 1-(2-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine (CID 64933933) is 1-(2-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine?
The canonical SMILES for 1-(2-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine is CC1(C)CN(c2ccccc2Cl)C(c2ccccc2)CN1.
What is the InChIKey of 1-(2-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine?
The InChIKey is IGUSADZXWLYGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-18(2)13-21(16-11-7-6-10-15(16)19)17(12-20-18)14-8-4-3-5-9-14/h3-11,17,20H,12-13H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine?
1-(2-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine has a molecular weight of 300.83 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine is sourced from PubChem (CID 64933933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).