1-[(3,5-dichloro-2-methoxyphenyl)-[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine

C21H23Cl2N5O — CID 3109935

IUPAC1-[(3,5-dichloro-2-methoxyphenyl)-[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine
SMILESCOc1c(Cl)cc(Cl)cc1C(c1nnnn1-c1ccc(C)cc1)N1CCCCC1
InChIInChI=1S/C21H23Cl2N5O/c1-14-6-8-16(9-7-14)28-21(24-25-26-28)19(27-10-4-3-5-11-27)17-12-15(22)13-18(23)20(17)29-2/h6-9,12-13,19H,3-5,10-11H2,1-2H3
InChIKeyUDZAYFHNJSLBHM-UHFFFAOYSA-N
MW432.36 g/mol
LogP4.86
Rot. Bonds5

About 1-[(3,5-dichloro-2-methoxyphenyl)-[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine

1-[(3,5-dichloro-2-methoxyphenyl)-[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine (PubChem CID 3109935) has the molecular formula C21H23Cl2N5O and a molecular weight of 432.36 g/mol. Its IUPAC name is 1-[(3,5-dichloro-2-methoxyphenyl)-[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[(3,5-dichloro-2-methoxyphenyl)-[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine
PubChem CID3109935
Molecular FormulaC21H23Cl2N5O
Molecular Weight432.36 g/mol
Exact Mass431.13
IUPAC Name1-[(3,5-dichloro-2-methoxyphenyl)-[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine
SMILESCOc1c(Cl)cc(Cl)cc1C(c1nnnn1-c1ccc(C)cc1)N1CCCCC1
InChIInChI=1S/C21H23Cl2N5O/c1-14-6-8-16(9-7-14)28-21(24-25-26-28)19(27-10-4-3-5-11-27)17-12-15(22)13-18(23)20(17)29-2/h6-9,12-13,19H,3-5,10-11H2,1-2H3
InChIKeyUDZAYFHNJSLBHM-UHFFFAOYSA-N
XLogP4.86
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichloro-2-methoxyphenyl)-[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine?
The IUPAC name of 1-[(3,5-dichloro-2-methoxyphenyl)-[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine (CID 3109935) is 1-[(3,5-dichloro-2-methoxyphenyl)-[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine.
What is the SMILES notation for 1-[(3,5-dichloro-2-methoxyphenyl)-[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine?
The canonical SMILES for 1-[(3,5-dichloro-2-methoxyphenyl)-[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine is COc1c(Cl)cc(Cl)cc1C(c1nnnn1-c1ccc(C)cc1)N1CCCCC1.
What is the InChIKey of 1-[(3,5-dichloro-2-methoxyphenyl)-[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine?
The InChIKey is UDZAYFHNJSLBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5O/c1-14-6-8-16(9-7-14)28-21(24-25-26-28)19(27-10-4-3-5-11-27)17-12-15(22)13-18(23)20(17)29-2/h6-9,12-13,19H,3-5,10-11H2,1-2H3.
What are the key properties of 1-[(3,5-dichloro-2-methoxyphenyl)-[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine?
1-[(3,5-dichloro-2-methoxyphenyl)-[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine has a molecular weight of 432.36 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichloro-2-methoxyphenyl)-[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine is sourced from PubChem (CID 3109935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).