3-[(4-methoxyphenyl)methyl]-1-methylpiperazine

C13H20N2O — CID 82286365

IUPAC3-[(4-methoxyphenyl)methyl]-1-methylpiperazine
SMILESCOc1ccc(CC2CN(C)CCN2)cc1
InChIInChI=1S/C13H20N2O/c1-15-8-7-14-12(10-15)9-11-3-5-13(16-2)6-4-11/h3-6,12,14H,7-10H2,1-2H3
InChIKeySILGTBXIGJQTEH-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.14
Rot. Bonds3

About 3-[(4-methoxyphenyl)methyl]-1-methylpiperazine

3-[(4-methoxyphenyl)methyl]-1-methylpiperazine (PubChem CID 82286365) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1-methylpiperazine.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1-methylpiperazine
PubChem CID82286365
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[(4-methoxyphenyl)methyl]-1-methylpiperazine
SMILESCOc1ccc(CC2CN(C)CCN2)cc1
InChIInChI=1S/C13H20N2O/c1-15-8-7-14-12(10-15)9-11-3-5-13(16-2)6-4-11/h3-6,12,14H,7-10H2,1-2H3
InChIKeySILGTBXIGJQTEH-UHFFFAOYSA-N
XLogP1.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methylpiperazine
CID 116991840
3-benzyl-1-(4-methoxyphenyl)piperazine
CID 54503810
2-[(4-methoxyphenyl)methyl]azetidine
CID 71756117
1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine
CID 116928127
3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine
CID 116928133
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
3-benzyl-1-(3-methoxyphenyl)piperazine
CID 57219049
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238651
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238743

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-methylpiperazine?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-methylpiperazine (CID 82286365) is 3-[(4-methoxyphenyl)methyl]-1-methylpiperazine.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1-methylpiperazine?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1-methylpiperazine is COc1ccc(CC2CN(C)CCN2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1-methylpiperazine?
The InChIKey is SILGTBXIGJQTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15-8-7-14-12(10-15)9-11-3-5-13(16-2)6-4-11/h3-6,12,14H,7-10H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1-methylpiperazine?
3-[(4-methoxyphenyl)methyl]-1-methylpiperazine has a molecular weight of 220.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1-methylpiperazine is sourced from PubChem (CID 82286365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).