1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine

C18H21ClN2 — CID 64847016

IUPAC1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine
SMILESCC1(c2ccccc2)CNCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2/c1-18(16-7-3-2-4-8-16)14-20-10-11-21(18)13-15-6-5-9-17(19)12-15/h2-9,12,20H,10-11,13-14H2,1H3
InChIKeySDHAGRPCKMYXER-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.66
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine

1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine (PubChem CID 64847016) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine
PubChem CID64847016
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine
SMILESCC1(c2ccccc2)CNCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2/c1-18(16-7-3-2-4-8-16)14-20-10-11-21(18)13-15-6-5-9-17(19)12-15/h2-9,12,20H,10-11,13-14H2,1H3
InChIKeySDHAGRPCKMYXER-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine (CID 64847016) is 1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine is CC1(c2ccccc2)CNCCN1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine?
The InChIKey is SDHAGRPCKMYXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-18(16-7-3-2-4-8-16)14-20-10-11-21(18)13-15-6-5-9-17(19)12-15/h2-9,12,20H,10-11,13-14H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine?
1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine has a molecular weight of 300.83 g/mol, XLogP of 3.66, 3 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-methyl-2-phenylpiperazine is sourced from PubChem (CID 64847016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).