1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine

C23H30N6O2 — CID 44538141

IUPAC1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCCOc2ccc(Cn3ncnn3)cc2)CC1
InChIInChI=1S/C23H30N6O2/c1-30-23-7-3-2-6-22(23)28-15-13-27(14-16-28)12-4-5-17-31-21-10-8-20(9-11-21)18-29-25-19-24-26-29/h2-3,6-11,19H,4-5,12-18H2,1H3
InChIKeyGEDZRGARGLCHQM-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.71
Rot. Bonds10

About 1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine

1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine (PubChem CID 44538141) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine
PubChem CID44538141
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCCOc2ccc(Cn3ncnn3)cc2)CC1
InChIInChI=1S/C23H30N6O2/c1-30-23-7-3-2-6-22(23)28-15-13-27(14-16-28)12-4-5-17-31-21-10-8-20(9-11-21)18-29-25-19-24-26-29/h2-3,6-11,19H,4-5,12-18H2,1H3
InChIKeyGEDZRGARGLCHQM-UHFFFAOYSA-N
XLogP2.71
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-4-[4-[4-[(5-methyltetrazol-1-yl)methyl]phenoxy]butyl]piperazine
CID 44538353
1-[4-[4-[(4,5-dichloroimidazol-1-yl)methyl]phenoxy]butyl]-4-(2-methoxyphenyl)piperazine
CID 44538453
[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
CID 139749924
1-(2-methoxyphenyl)-4-[4-[4-[2-(5-methyltetrazol-5-yl)ethyl]phenoxy]butyl]piperazine
CID 66909941
1-[4-[4-[2-(1,3-dihydrotetrazol-2-yl)ethyl]phenoxy]butyl]-4-(2-methoxyphenyl)piperazine
CID 143901767
2-[2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]ethyl]-1,3,4-thiadiazole
CID 58269751
1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
3-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-1,1-dimethylurea
CID 44538852
2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole
CID 13062009
2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]isoindole-1,3-dione
CID 10323108
N-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-4,5-dihydro-1H-imidazol-2-amine;pentahydrochloride
CID 3070152
[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate
CID 44538760

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine (CID 44538141) is 1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine is COc1ccccc1N1CCN(CCCCOc2ccc(Cn3ncnn3)cc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine?
The InChIKey is GEDZRGARGLCHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-30-23-7-3-2-6-22(23)28-15-13-27(14-16-28)12-4-5-17-31-21-10-8-20(9-11-21)18-29-25-19-24-26-29/h2-3,6-11,19H,4-5,12-18H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine?
1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine has a molecular weight of 422.53 g/mol, XLogP of 2.71, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine is sourced from PubChem (CID 44538141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).