(2S)-2-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperidine

C13H16FN5 — CID 67158151

IUPAC(2S)-2-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperidine
SMILESFc1ccc(-c2nnn(C[C@@H]3CCCCN3)n2)cc1
InChIInChI=1S/C13H16FN5/c14-11-6-4-10(5-7-11)13-16-18-19(17-13)9-12-3-1-2-8-15-12/h4-7,12,15H,1-3,8-9H2/t12-/m0/s1
InChIKeyVILAJUGURRAFMG-LBPRGKRZSA-N
MW261.30 g/mol
LogP1.62
Rot. Bonds3

About (2S)-2-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperidine

(2S)-2-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperidine (PubChem CID 67158151) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is (2S)-2-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperidine
PubChem CID67158151
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name(2S)-2-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperidine
SMILESFc1ccc(-c2nnn(C[C@@H]3CCCCN3)n2)cc1
InChIInChI=1S/C13H16FN5/c14-11-6-4-10(5-7-11)13-16-18-19(17-13)9-12-3-1-2-8-15-12/h4-7,12,15H,1-3,8-9H2/t12-/m0/s1
InChIKeyVILAJUGURRAFMG-LBPRGKRZSA-N
XLogP1.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperidine?
The IUPAC name of (2S)-2-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperidine (CID 67158151) is (2S)-2-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperidine.
What is the SMILES notation for (2S)-2-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperidine?
The canonical SMILES for (2S)-2-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperidine is Fc1ccc(-c2nnn(C[C@@H]3CCCCN3)n2)cc1.
What is the InChIKey of (2S)-2-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperidine?
The InChIKey is VILAJUGURRAFMG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16FN5/c14-11-6-4-10(5-7-11)13-16-18-19(17-13)9-12-3-1-2-8-15-12/h4-7,12,15H,1-3,8-9H2/t12-/m0/s1.
What are the key properties of (2S)-2-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperidine?
(2S)-2-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperidine has a molecular weight of 261.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperidine is sourced from PubChem (CID 67158151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).