1-[2-(4-(111C)methoxyphenyl)phenyl]piperazine

C17H20N2O — CID 57328052

IUPAC1-[2-(4-(111C)methoxyphenyl)phenyl]piperazine
SMILES[11CH3]Oc1ccc(-c2ccccc2N2CCNCC2)cc1
InChIInChI=1S/C17H20N2O/c1-20-15-8-6-14(7-9-15)16-4-2-3-5-17(16)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3/i1-1
InChIKeyGJCDKKZASRZMHC-BJUDXGSMSA-N
MW267.36 g/mol
LogP2.77
Rot. Bonds3

About 1-[2-(4-(111C)methoxyphenyl)phenyl]piperazine

1-[2-(4-(111C)methoxyphenyl)phenyl]piperazine (PubChem CID 57328052) has the molecular formula C17H20N2O and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-[2-(4-(111C)methoxyphenyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-(111C)methoxyphenyl)phenyl]piperazine
PubChem CID57328052
Molecular FormulaC17H20N2O
Molecular Weight267.36 g/mol
Exact Mass267.17
IUPAC Name1-[2-(4-(111C)methoxyphenyl)phenyl]piperazine
SMILES[11CH3]Oc1ccc(-c2ccccc2N2CCNCC2)cc1
InChIInChI=1S/C17H20N2O/c1-20-15-8-6-14(7-9-15)16-4-2-3-5-17(16)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3/i1-1
InChIKeyGJCDKKZASRZMHC-BJUDXGSMSA-N
XLogP2.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
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2,4-Bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 614407
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CID 3826471
N-(4-Methoxybenzyl)aniline
CID 408377
Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
CID 67113
1-(7-Methoxynaphthalen-2-yl)piperazine
CID 44351692
4,4'-[(4-Methoxyphenyl)methylene]bis(N,N-dimethylaniline)
CID 348623
1-(3-(Benzyloxy)-2-methylphenyl)piperazine
CID 25263303
1-(2-(2-Methoxyphenyl)-1-phenylethyl)piperazine
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-(111C)methoxyphenyl)phenyl]piperazine?
The IUPAC name of 1-[2-(4-(111C)methoxyphenyl)phenyl]piperazine (CID 57328052) is 1-[2-(4-(111C)methoxyphenyl)phenyl]piperazine.
What is the SMILES notation for 1-[2-(4-(111C)methoxyphenyl)phenyl]piperazine?
The canonical SMILES for 1-[2-(4-(111C)methoxyphenyl)phenyl]piperazine is [11CH3]Oc1ccc(-c2ccccc2N2CCNCC2)cc1.
What is the InChIKey of 1-[2-(4-(111C)methoxyphenyl)phenyl]piperazine?
The InChIKey is GJCDKKZASRZMHC-BJUDXGSMSA-N. The full InChI is InChI=1S/C17H20N2O/c1-20-15-8-6-14(7-9-15)16-4-2-3-5-17(16)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3/i1-1.
What are the key properties of 1-[2-(4-(111C)methoxyphenyl)phenyl]piperazine?
1-[2-(4-(111C)methoxyphenyl)phenyl]piperazine has a molecular weight of 267.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-(111C)methoxyphenyl)phenyl]piperazine is sourced from PubChem (CID 57328052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).