2-[1-fluoro-2-(2-methyltetrazol-5-yl)ethyl]piperidine

C9H16FN5 — CID 107061573

IUPAC2-[1-fluoro-2-(2-methyltetrazol-5-yl)ethyl]piperidine
SMILESCn1nnc(CC(F)C2CCCCN2)n1
InChIInChI=1S/C9H16FN5/c1-15-13-9(12-14-15)6-7(10)8-4-2-3-5-11-8/h7-8,11H,2-6H2,1H3
InChIKeyAIQMJRBWZZRFIV-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.23
Rot. Bonds3

About 2-[1-fluoro-2-(2-methyltetrazol-5-yl)ethyl]piperidine

2-[1-fluoro-2-(2-methyltetrazol-5-yl)ethyl]piperidine (PubChem CID 107061573) has the molecular formula C9H16FN5 and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[1-fluoro-2-(2-methyltetrazol-5-yl)ethyl]piperidine.

Molecular Properties

Compound Name2-[1-fluoro-2-(2-methyltetrazol-5-yl)ethyl]piperidine
PubChem CID107061573
Molecular FormulaC9H16FN5
Molecular Weight213.26 g/mol
Exact Mass213.14
IUPAC Name2-[1-fluoro-2-(2-methyltetrazol-5-yl)ethyl]piperidine
SMILESCn1nnc(CC(F)C2CCCCN2)n1
InChIInChI=1S/C9H16FN5/c1-15-13-9(12-14-15)6-7(10)8-4-2-3-5-11-8/h7-8,11H,2-6H2,1H3
InChIKeyAIQMJRBWZZRFIV-UHFFFAOYSA-N
XLogP0.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-fluoro-2-(2-methyltetrazol-5-yl)ethyl]piperidine?
The IUPAC name of 2-[1-fluoro-2-(2-methyltetrazol-5-yl)ethyl]piperidine (CID 107061573) is 2-[1-fluoro-2-(2-methyltetrazol-5-yl)ethyl]piperidine.
What is the SMILES notation for 2-[1-fluoro-2-(2-methyltetrazol-5-yl)ethyl]piperidine?
The canonical SMILES for 2-[1-fluoro-2-(2-methyltetrazol-5-yl)ethyl]piperidine is Cn1nnc(CC(F)C2CCCCN2)n1.
What is the InChIKey of 2-[1-fluoro-2-(2-methyltetrazol-5-yl)ethyl]piperidine?
The InChIKey is AIQMJRBWZZRFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN5/c1-15-13-9(12-14-15)6-7(10)8-4-2-3-5-11-8/h7-8,11H,2-6H2,1H3.
What are the key properties of 2-[1-fluoro-2-(2-methyltetrazol-5-yl)ethyl]piperidine?
2-[1-fluoro-2-(2-methyltetrazol-5-yl)ethyl]piperidine has a molecular weight of 213.26 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-fluoro-2-(2-methyltetrazol-5-yl)ethyl]piperidine is sourced from PubChem (CID 107061573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).