4-[(3-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine

C13H16FN5 — CID 57179172

IUPAC4-[(3-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine
SMILESFc1cccc(CC2CCN(n3ncnn3)CC2)c1
InChIInChI=1S/C13H16FN5/c14-13-3-1-2-12(9-13)8-11-4-6-18(7-5-11)19-16-10-15-17-19/h1-3,9-11H,4-8H2
InChIKeyUOVZZBNTTUNAGV-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.40
Rot. Bonds3

About 4-[(3-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine

4-[(3-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine (PubChem CID 57179172) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine
PubChem CID57179172
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name4-[(3-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine
SMILESFc1cccc(CC2CCN(n3ncnn3)CC2)c1
InChIInChI=1S/C13H16FN5/c14-13-3-1-2-12(9-13)8-11-4-6-18(7-5-11)19-16-10-15-17-19/h1-3,9-11H,4-8H2
InChIKeyUOVZZBNTTUNAGV-UHFFFAOYSA-N
XLogP1.40
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine (CID 57179172) is 4-[(3-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine is Fc1cccc(CC2CCN(n3ncnn3)CC2)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine?
The InChIKey is UOVZZBNTTUNAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c14-13-3-1-2-12(9-13)8-11-4-6-18(7-5-11)19-16-10-15-17-19/h1-3,9-11H,4-8H2.
What are the key properties of 4-[(3-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine?
4-[(3-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine has a molecular weight of 261.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine is sourced from PubChem (CID 57179172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).