[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine

C21H29N3O2 — CID 139749924

IUPAC[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
SMILESCOc1ccccc1N1CCN(CCCOc2ccc(CN)cc2)CC1
InChIInChI=1S/C21H29N3O2/c1-25-21-6-3-2-5-20(21)24-14-12-23(13-15-24)11-4-16-26-19-9-7-18(17-22)8-10-19/h2-3,5-10H,4,11-17,22H2,1H3
InChIKeyJLQPTOJPEAFQGI-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.74
Rot. Bonds8

About [4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine

[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine (PubChem CID 139749924) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is [4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
PubChem CID139749924
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
SMILESCOc1ccccc1N1CCN(CCCOc2ccc(CN)cc2)CC1
InChIInChI=1S/C21H29N3O2/c1-25-21-6-3-2-5-20(21)24-14-12-23(13-15-24)11-4-16-26-19-9-7-18(17-22)8-10-19/h2-3,5-10H,4,11-17,22H2,1H3
InChIKeyJLQPTOJPEAFQGI-UHFFFAOYSA-N
XLogP2.74
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate
CID 44538760
1-(2-methoxyphenyl)-4-[2-[3-[3-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenoxy]propoxy]phenyl]ethyl]piperazine
CID 23661594
N-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide
CID 139749928
1-(2-methoxyphenyl)-4-[4-[4-[2-(5-methyltetrazol-5-yl)ethyl]phenoxy]butyl]piperazine
CID 66909941
1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine
CID 44538141
3-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-1,1-dimethylurea
CID 44538852
1-[4-[4-[(4,5-dichloroimidazol-1-yl)methyl]phenoxy]butyl]-4-(2-methoxyphenyl)piperazine
CID 44538453
N-amino-N-[2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]ethyl]methanimidamide
CID 143901770
2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole
CID 13062009
1-(2-methoxyphenyl)-4-[4-[4-[(5-methyltetrazol-1-yl)methyl]phenoxy]butyl]piperazine
CID 44538353

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine?
The IUPAC name of [4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine (CID 139749924) is [4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine.
What is the SMILES notation for [4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine?
The canonical SMILES for [4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine is COc1ccccc1N1CCN(CCCOc2ccc(CN)cc2)CC1.
What is the InChIKey of [4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine?
The InChIKey is JLQPTOJPEAFQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-25-21-6-3-2-5-20(21)24-14-12-23(13-15-24)11-4-16-26-19-9-7-18(17-22)8-10-19/h2-3,5-10H,4,11-17,22H2,1H3.
What are the key properties of [4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine?
[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine has a molecular weight of 355.48 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine is sourced from PubChem (CID 139749924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).