1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine

C19H19Cl2N5 — CID 122174373

IUPAC1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine
SMILESClc1cccc(-n2nnnc2C(c2ccccc2Cl)N2CCCCC2)c1
InChIInChI=1S/C19H19Cl2N5/c20-14-7-6-8-15(13-14)26-19(22-23-24-26)18(25-11-4-1-5-12-25)16-9-2-3-10-17(16)21/h2-3,6-10,13,18H,1,4-5,11-12H2
InChIKeyYTHRKXZAJKUANG-UHFFFAOYSA-N
MW388.30 g/mol
LogP4.54
Rot. Bonds4

About 1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine

1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine (PubChem CID 122174373) has the molecular formula C19H19Cl2N5 and a molecular weight of 388.30 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine
PubChem CID122174373
Molecular FormulaC19H19Cl2N5
Molecular Weight388.30 g/mol
Exact Mass387.10
IUPAC Name1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine
SMILESClc1cccc(-n2nnnc2C(c2ccccc2Cl)N2CCCCC2)c1
InChIInChI=1S/C19H19Cl2N5/c20-14-7-6-8-15(13-14)26-19(22-23-24-26)18(25-11-4-1-5-12-25)16-9-2-3-10-17(16)21/h2-3,6-10,13,18H,1,4-5,11-12H2
InChIKeyYTHRKXZAJKUANG-UHFFFAOYSA-N
XLogP4.54
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]morpholine
CID 3573370
1-[[1-(3-chlorophenyl)tetrazol-5-yl]-phenylmethyl]piperidine
CID 122174375
4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine
CID 30104890
1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole
CID 171977006
1-[(S)-(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 1444196
1-(3-chlorophenyl)azonane
CID 145391535
1-(3-chlorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171668302
1-(3-chlorophenyl)-5-phenyltetrazole
CID 854387
1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine
CID 3209015
4-[(R)-(2-chlorophenyl)-[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholin-4-ium
CID 7278290
[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium
CID 7250269
1-[(S)-(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1447390

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine?
The IUPAC name of 1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine (CID 122174373) is 1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine.
What is the SMILES notation for 1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine?
The canonical SMILES for 1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine is Clc1cccc(-n2nnnc2C(c2ccccc2Cl)N2CCCCC2)c1.
What is the InChIKey of 1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine?
The InChIKey is YTHRKXZAJKUANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5/c20-14-7-6-8-15(13-14)26-19(22-23-24-26)18(25-11-4-1-5-12-25)16-9-2-3-10-17(16)21/h2-3,6-10,13,18H,1,4-5,11-12H2.
What are the key properties of 1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine?
1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine has a molecular weight of 388.30 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-[1-(3-chlorophenyl)tetrazol-5-yl]methyl]piperidine is sourced from PubChem (CID 122174373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).