1-(2,3-dichlorophenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]tetrazol-5-amine

C20H22Cl2N6O — CID 11704714

IUPAC1-(2,3-dichlorophenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]tetrazol-5-amine
SMILESCN1CCC(Oc2cccc(CNc3nnnn3-c3cccc(Cl)c3Cl)c2)CC1
InChIInChI=1S/C20H22Cl2N6O/c1-27-10-8-15(9-11-27)29-16-5-2-4-14(12-16)13-23-20-24-25-26-28(20)18-7-3-6-17(21)19(18)22/h2-7,12,15H,8-11,13H2,1H3,(H,23,24,26)
InChIKeyHELMZHVDFSLKMO-UHFFFAOYSA-N
MW433.34 g/mol
LogP4.05
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]tetrazol-5-amine

1-(2,3-dichlorophenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]tetrazol-5-amine (PubChem CID 11704714) has the molecular formula C20H22Cl2N6O and a molecular weight of 433.34 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]tetrazol-5-amine
PubChem CID11704714
Molecular FormulaC20H22Cl2N6O
Molecular Weight433.34 g/mol
Exact Mass432.12
IUPAC Name1-(2,3-dichlorophenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]tetrazol-5-amine
SMILESCN1CCC(Oc2cccc(CNc3nnnn3-c3cccc(Cl)c3Cl)c2)CC1
InChIInChI=1S/C20H22Cl2N6O/c1-27-10-8-15(9-11-27)29-16-5-2-4-14(12-16)13-23-20-24-25-26-28(20)18-7-3-6-17(21)19(18)22/h2-7,12,15H,8-11,13H2,1H3,(H,23,24,26)
InChIKeyHELMZHVDFSLKMO-UHFFFAOYSA-N
XLogP4.05
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]tetrazol-5-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]tetrazol-5-amine (CID 11704714) is 1-(2,3-dichlorophenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]tetrazol-5-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]tetrazol-5-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]tetrazol-5-amine is CN1CCC(Oc2cccc(CNc3nnnn3-c3cccc(Cl)c3Cl)c2)CC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]tetrazol-5-amine?
The InChIKey is HELMZHVDFSLKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N6O/c1-27-10-8-15(9-11-27)29-16-5-2-4-14(12-16)13-23-20-24-25-26-28(20)18-7-3-6-17(21)19(18)22/h2-7,12,15H,8-11,13H2,1H3,(H,23,24,26).
What are the key properties of 1-(2,3-dichlorophenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]tetrazol-5-amine?
1-(2,3-dichlorophenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]tetrazol-5-amine has a molecular weight of 433.34 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]tetrazol-5-amine is sourced from PubChem (CID 11704714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).