[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine

C19H25N3O — CID 19627364

IUPAC[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine
SMILESCOc1ccc(CN2CCN(c3ccccc3CN)CC2)cc1
InChIInChI=1S/C19H25N3O/c1-23-18-8-6-16(7-9-18)15-21-10-12-22(13-11-21)19-5-3-2-4-17(19)14-20/h2-9H,10-15,20H2,1H3
InChIKeyGKINRYZXPAYFTG-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.48
Rot. Bonds5

About [2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine

[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine (PubChem CID 19627364) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is [2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine
PubChem CID19627364
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine
SMILESCOc1ccc(CN2CCN(c3ccccc3CN)CC2)cc1
InChIInChI=1S/C19H25N3O/c1-23-18-8-6-16(7-9-18)15-21-10-12-22(13-11-21)19-5-3-2-4-17(19)14-20/h2-9H,10-15,20H2,1H3
InChIKeyGKINRYZXPAYFTG-UHFFFAOYSA-N
XLogP2.48
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 791315
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]aniline
CID 28800345
[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine
CID 95504616
1-[(2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 24761997
1-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 2874367
1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine
CID 9130212
[2-(4-benzylpiperazin-1-yl)phenyl]methanol
CID 2741998
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione
CID 42381762
1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine
CID 155537825
1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine
CID 159879194

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine?
The IUPAC name of [2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine (CID 19627364) is [2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine.
What is the SMILES notation for [2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine?
The canonical SMILES for [2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine is COc1ccc(CN2CCN(c3ccccc3CN)CC2)cc1.
What is the InChIKey of [2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine?
The InChIKey is GKINRYZXPAYFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-23-18-8-6-16(7-9-18)15-21-10-12-22(13-11-21)19-5-3-2-4-17(19)14-20/h2-9H,10-15,20H2,1H3.
What are the key properties of [2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine?
[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine has a molecular weight of 311.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine is sourced from PubChem (CID 19627364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).