1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine

C18H21ClN2O — CID 3779620

IUPAC1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1C(c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C18H21ClN2O/c1-22-17-5-3-2-4-16(17)18(21-12-10-20-11-13-21)14-6-8-15(19)9-7-14/h2-9,18,20H,10-13H2,1H3
InChIKeyXKYLHKQMSRGWHA-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.34
Rot. Bonds4

About 1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine

1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine (PubChem CID 3779620) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine
PubChem CID3779620
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1C(c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C18H21ClN2O/c1-22-17-5-3-2-4-16(17)18(21-12-10-20-11-13-21)14-6-8-15(19)9-7-14/h2-9,18,20H,10-13H2,1H3
InChIKeyXKYLHKQMSRGWHA-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3758150
1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine
CID 3719125
1-[(R)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171286916
1-[(4-ethoxy-3-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3635199
1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3478154
1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 4315343
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
CID 24745687
1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
CID 3834286
1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine
CID 4738663
1-[(2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3704373
1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine
CID 3748492

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine (CID 3779620) is 1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine is COc1ccccc1C(c1ccc(Cl)cc1)N1CCNCC1.
What is the InChIKey of 1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine?
The InChIKey is XKYLHKQMSRGWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-22-17-5-3-2-4-16(17)18(21-12-10-20-11-13-21)14-6-8-15(19)9-7-14/h2-9,18,20H,10-13H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine?
1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine has a molecular weight of 316.83 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3779620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).