1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine

C18H22N2O — CID 7047760

IUPAC1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
SMILESCOc1ccc([C@H](c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C18H22N2O/c1-21-17-9-7-16(8-10-17)18(15-5-3-2-4-6-15)20-13-11-19-12-14-20/h2-10,18-19H,11-14H2,1H3/t18-/m0/s1
InChIKeyQEBOYBVMAZLNLX-SFHVURJKSA-N
MW282.39 g/mol
LogP2.69
Rot. Bonds4

About 1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine

1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine (PubChem CID 7047760) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
PubChem CID7047760
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
SMILESCOc1ccc([C@H](c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C18H22N2O/c1-21-17-9-7-16(8-10-17)18(15-5-3-2-4-6-15)20-13-11-19-12-14-20/h2-10,18-19H,11-14H2,1H3/t18-/m0/s1
InChIKeyQEBOYBVMAZLNLX-SFHVURJKSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane
CID 3838263
1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3878375
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 3987731
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712
1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine
CID 3960727
1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3289491
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 3808845
1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3766847
1-[(2,6-dimethoxyphenyl)-(4-methoxyphenyl)methyl]-1,4-diazepane
CID 5130117
1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine
CID 3836641
1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine
CID 140569426
1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 7016984

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine?
The IUPAC name of 1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine (CID 7047760) is 1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine is COc1ccc([C@H](c2ccccc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine?
The InChIKey is QEBOYBVMAZLNLX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-17-9-7-16(8-10-17)18(15-5-3-2-4-6-15)20-13-11-19-12-14-20/h2-10,18-19H,11-14H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine?
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine has a molecular weight of 282.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine is sourced from PubChem (CID 7047760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).