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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Related Compounds

1-(3-(Benzyloxy)-2-methylphenyl)piperazine
CID 25263303
1-(2-(Phenoxymethyl)phenyl)piperazine
CID 45483466
1-(2-((3-Fluorophenoxy)methyl)phenyl)piperazine
CID 45483467
1-{3-[(3-Fluorophenyl)methoxy]-2-methylphenyl}piperazine
CID 25263304
3-[2-Methyl-3-(piperazin-1-yl)phenoxymethyl]benzonitrile
CID 25263306
1-{3-[(2-Fluorophenyl)methoxy]-2-methylphenyl}piperazine
CID 25263307
1-{3-[(3,4-Difluorophenyl)methoxy]-2-methylphenyl}piperazine
CID 25263308
1-{3-[(3,4-Dichlorophenyl)methoxy]-2-methylphenyl}piperazine
CID 25263309
1-{2-methyl-3-[(1S)-1-phenylethoxy]phenyl}piperazine
CID 25263311
1-{2-methyl-3-[(1R)-1-phenylethoxy]phenyl}piperazine
CID 25263312
7-[3-[[(1R,2R)-2-(5-chloro-2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-1H-quinolin-2-one
CID 156785369
7-[4-[[2-(5-chloro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-1H-quinolin-2-one
CID 164158703

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).