4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine

C14H19N5O2 — CID 4913034

IUPAC4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine
SMILESCOc1ccc(-c2nnn(C3CCNCC3)n2)cc1OC
InChIInChI=1S/C14H19N5O2/c1-20-12-4-3-10(9-13(12)21-2)14-16-18-19(17-14)11-5-7-15-8-6-11/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeyRCJOSCIHXIXEGO-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.28
Rot. Bonds4

About 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine

4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine (PubChem CID 4913034) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine
PubChem CID4913034
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine
SMILESCOc1ccc(-c2nnn(C3CCNCC3)n2)cc1OC
InChIInChI=1S/C14H19N5O2/c1-20-12-4-3-10(9-13(12)21-2)14-16-18-19(17-14)11-5-7-15-8-6-11/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeyRCJOSCIHXIXEGO-UHFFFAOYSA-N
XLogP1.28
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine?
The IUPAC name of 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine (CID 4913034) is 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine.
What is the SMILES notation for 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine?
The canonical SMILES for 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine is COc1ccc(-c2nnn(C3CCNCC3)n2)cc1OC.
What is the InChIKey of 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine?
The InChIKey is RCJOSCIHXIXEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-20-12-4-3-10(9-13(12)21-2)14-16-18-19(17-14)11-5-7-15-8-6-11/h3-4,9,11,15H,5-8H2,1-2H3.
What are the key properties of 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine?
4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine has a molecular weight of 289.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine is sourced from PubChem (CID 4913034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).