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

C13H16FN5 — CID 57083952

IUPAC4-[(4-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine
SMILESFc1ccc(CC2CCN(n3ncnn3)CC2)cc1
InChIInChI=1S/C13H16FN5/c14-13-3-1-11(2-4-13)9-12-5-7-18(8-6-12)19-16-10-15-17-19/h1-4,10,12H,5-9H2
InChIKeyNORDQBPSCROVLK-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.40
Rot. Bonds3

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

4-[(4-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine (PubChem CID 57083952) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine
PubChem CID57083952
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name4-[(4-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine
SMILESFc1ccc(CC2CCN(n3ncnn3)CC2)cc1
InChIInChI=1S/C13H16FN5/c14-13-3-1-11(2-4-13)9-12-5-7-18(8-6-12)19-16-10-15-17-19/h1-4,10,12H,5-9H2
InChIKeyNORDQBPSCROVLK-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-[(4-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine (CID 57083952) is 4-[(4-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine is Fc1ccc(CC2CCN(n3ncnn3)CC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine?
The InChIKey is NORDQBPSCROVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c14-13-3-1-11(2-4-13)9-12-5-7-18(8-6-12)19-16-10-15-17-19/h1-4,10,12H,5-9H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine?
4-[(4-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-[(4-fluorophenyl)methyl]-1-(tetrazol-2-yl)piperidine is sourced from PubChem (CID 57083952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).