1-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]piperidine

C13H15Cl2N5 — CID 3165816

IUPAC1-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]piperidine
SMILESClc1ccc(-n2nnnc2CN2CCCCC2)cc1Cl
InChIInChI=1S/C13H15Cl2N5/c14-11-5-4-10(8-12(11)15)20-13(16-17-18-20)9-19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,9H2
InChIKeyMSZHJMWLOVWRKS-UHFFFAOYSA-N
MW312.20 g/mol
LogP2.95
Rot. Bonds3

About 1-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]piperidine

1-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]piperidine (PubChem CID 3165816) has the molecular formula C13H15Cl2N5 and a molecular weight of 312.20 g/mol. Its IUPAC name is 1-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]piperidine
PubChem CID3165816
Molecular FormulaC13H15Cl2N5
Molecular Weight312.20 g/mol
Exact Mass311.07
IUPAC Name1-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]piperidine
SMILESClc1ccc(-n2nnnc2CN2CCCCC2)cc1Cl
InChIInChI=1S/C13H15Cl2N5/c14-11-5-4-10(8-12(11)15)20-13(16-17-18-20)9-19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,9H2
InChIKeyMSZHJMWLOVWRKS-UHFFFAOYSA-N
XLogP2.95
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]piperidine?
The IUPAC name of 1-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]piperidine (CID 3165816) is 1-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]piperidine.
What is the SMILES notation for 1-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]piperidine?
The canonical SMILES for 1-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]piperidine is Clc1ccc(-n2nnnc2CN2CCCCC2)cc1Cl.
What is the InChIKey of 1-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]piperidine?
The InChIKey is MSZHJMWLOVWRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N5/c14-11-5-4-10(8-12(11)15)20-13(16-17-18-20)9-19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 1-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]piperidine?
1-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]piperidine has a molecular weight of 312.20 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]piperidine is sourced from PubChem (CID 3165816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).