4-[[4-[2-fluoro-4-(tetrazol-1-yl)phenyl]phenyl]methoxy]piperidine

C19H20FN5O — CID 68618467

IUPAC4-[[4-[2-fluoro-4-(tetrazol-1-yl)phenyl]phenyl]methoxy]piperidine
SMILESFc1cc(-n2cnnn2)ccc1-c1ccc(COC2CCNCC2)cc1
InChIInChI=1S/C19H20FN5O/c20-19-11-16(25-13-22-23-24-25)5-6-18(19)15-3-1-14(2-4-15)12-26-17-7-9-21-10-8-17/h1-6,11,13,17,21H,7-10,12H2
InChIKeyGAQCHEWRNUYEAW-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.74
Rot. Bonds5

About 4-[[4-[2-fluoro-4-(tetrazol-1-yl)phenyl]phenyl]methoxy]piperidine

4-[[4-[2-fluoro-4-(tetrazol-1-yl)phenyl]phenyl]methoxy]piperidine (PubChem CID 68618467) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-[[4-[2-fluoro-4-(tetrazol-1-yl)phenyl]phenyl]methoxy]piperidine.

Molecular Properties

Compound Name4-[[4-[2-fluoro-4-(tetrazol-1-yl)phenyl]phenyl]methoxy]piperidine
PubChem CID68618467
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name4-[[4-[2-fluoro-4-(tetrazol-1-yl)phenyl]phenyl]methoxy]piperidine
SMILESFc1cc(-n2cnnn2)ccc1-c1ccc(COC2CCNCC2)cc1
InChIInChI=1S/C19H20FN5O/c20-19-11-16(25-13-22-23-24-25)5-6-18(19)15-3-1-14(2-4-15)12-26-17-7-9-21-10-8-17/h1-6,11,13,17,21H,7-10,12H2
InChIKeyGAQCHEWRNUYEAW-UHFFFAOYSA-N
XLogP2.74
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-fluoro-4-(tetrazol-1-yl)phenyl]phenyl]methoxy]piperidine?
The IUPAC name of 4-[[4-[2-fluoro-4-(tetrazol-1-yl)phenyl]phenyl]methoxy]piperidine (CID 68618467) is 4-[[4-[2-fluoro-4-(tetrazol-1-yl)phenyl]phenyl]methoxy]piperidine.
What is the SMILES notation for 4-[[4-[2-fluoro-4-(tetrazol-1-yl)phenyl]phenyl]methoxy]piperidine?
The canonical SMILES for 4-[[4-[2-fluoro-4-(tetrazol-1-yl)phenyl]phenyl]methoxy]piperidine is Fc1cc(-n2cnnn2)ccc1-c1ccc(COC2CCNCC2)cc1.
What is the InChIKey of 4-[[4-[2-fluoro-4-(tetrazol-1-yl)phenyl]phenyl]methoxy]piperidine?
The InChIKey is GAQCHEWRNUYEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c20-19-11-16(25-13-22-23-24-25)5-6-18(19)15-3-1-14(2-4-15)12-26-17-7-9-21-10-8-17/h1-6,11,13,17,21H,7-10,12H2.
What are the key properties of 4-[[4-[2-fluoro-4-(tetrazol-1-yl)phenyl]phenyl]methoxy]piperidine?
4-[[4-[2-fluoro-4-(tetrazol-1-yl)phenyl]phenyl]methoxy]piperidine has a molecular weight of 353.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-fluoro-4-(tetrazol-1-yl)phenyl]phenyl]methoxy]piperidine is sourced from PubChem (CID 68618467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).