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

C19H24N2O2 — CID 22199424

IUPAC1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
SMILESCOc1cccc(CN2CCN(c3cccc(OC)c3)CC2)c1
InChIInChI=1S/C19H24N2O2/c1-22-18-7-3-5-16(13-18)15-20-9-11-21(12-10-20)17-6-4-8-19(14-17)23-2/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyQAYFWFKIZFVRAB-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.03
Rot. Bonds5

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

1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine (PubChem CID 22199424) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
PubChem CID22199424
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
SMILESCOc1cccc(CN2CCN(c3cccc(OC)c3)CC2)c1
InChIInChI=1S/C19H24N2O2/c1-22-18-7-3-5-16(13-18)15-20-9-11-21(12-10-20)17-6-4-8-19(14-17)23-2/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyQAYFWFKIZFVRAB-UHFFFAOYSA-N
XLogP3.03
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-4-[(3-nitrophenyl)methyl]piperazine
CID 782292
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
2-amino-5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]benzoic acid
CID 139774634
1-(2-chloroethyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 23363898
3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]aniline
CID 28800345
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 22195001
N-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]aniline
CID 167465874
1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 2168286
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine (CID 22199424) is 1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine is COc1cccc(CN2CCN(c3cccc(OC)c3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine?
The InChIKey is QAYFWFKIZFVRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-22-18-7-3-5-16(13-18)15-20-9-11-21(12-10-20)17-6-4-8-19(14-17)23-2/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine?
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine has a molecular weight of 312.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 22199424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).