1-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperazine

C18H21ClN2O — CID 25263305

IUPAC1-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperazine
SMILESCc1c(OCc2cccc(Cl)c2)cccc1N1CCNCC1
InChIInChI=1S/C18H21ClN2O/c1-14-17(21-10-8-20-9-11-21)6-3-7-18(14)22-13-15-4-2-5-16(19)12-15/h2-7,12,20H,8-11,13H2,1H3
InChIKeyZYGSPJZAXDIUFK-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.64
Rot. Bonds4

About 1-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperazine

1-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperazine (PubChem CID 25263305) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 1-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperazine.

Molecular Properties

Compound Name1-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperazine
PubChem CID25263305
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name1-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperazine
SMILESCc1c(OCc2cccc(Cl)c2)cccc1N1CCNCC1
InChIInChI=1S/C18H21ClN2O/c1-14-17(21-10-8-20-9-11-21)6-3-7-18(14)22-13-15-4-2-5-16(19)12-15/h2-7,12,20H,8-11,13H2,1H3
InChIKeyZYGSPJZAXDIUFK-UHFFFAOYSA-N
XLogP3.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperazine?
The IUPAC name of 1-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperazine (CID 25263305) is 1-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperazine.
What is the SMILES notation for 1-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperazine?
The canonical SMILES for 1-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperazine is Cc1c(OCc2cccc(Cl)c2)cccc1N1CCNCC1.
What is the InChIKey of 1-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperazine?
The InChIKey is ZYGSPJZAXDIUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-14-17(21-10-8-20-9-11-21)6-3-7-18(14)22-13-15-4-2-5-16(19)12-15/h2-7,12,20H,8-11,13H2,1H3.
What are the key properties of 1-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperazine?
1-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperazine has a molecular weight of 316.83 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperazine is sourced from PubChem (CID 25263305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).