4-[(3-fluorophenyl)methyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine

C17H24FN5 — CID 60502223

IUPAC4-[(3-fluorophenyl)methyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine
SMILESCCCn1nnnc1CN1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H24FN5/c1-2-8-23-17(19-20-21-23)13-22-9-6-14(7-10-22)11-15-4-3-5-16(18)12-15/h3-5,12,14H,2,6-11,13H2,1H3
InChIKeyIBJCHEHAINWSJR-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.68
Rot. Bonds6

About 4-[(3-fluorophenyl)methyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine

4-[(3-fluorophenyl)methyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine (PubChem CID 60502223) has the molecular formula C17H24FN5 and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine
PubChem CID60502223
Molecular FormulaC17H24FN5
Molecular Weight317.41 g/mol
Exact Mass317.20
IUPAC Name4-[(3-fluorophenyl)methyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine
SMILESCCCn1nnnc1CN1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H24FN5/c1-2-8-23-17(19-20-21-23)13-22-9-6-14(7-10-22)11-15-4-3-5-16(18)12-15/h3-5,12,14H,2,6-11,13H2,1H3
InChIKeyIBJCHEHAINWSJR-UHFFFAOYSA-N
XLogP2.68
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.68
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-[(1-propyltetrazol-5-yl)methyl]piperidine?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine (CID 60502223) is 4-[(3-fluorophenyl)methyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine is CCCn1nnnc1CN1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine?
The InChIKey is IBJCHEHAINWSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5/c1-2-8-23-17(19-20-21-23)13-22-9-6-14(7-10-22)11-15-4-3-5-16(18)12-15/h3-5,12,14H,2,6-11,13H2,1H3.
What are the key properties of 4-[(3-fluorophenyl)methyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine?
4-[(3-fluorophenyl)methyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine has a molecular weight of 317.41 g/mol, XLogP of 2.68, 6 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-[(1-propyltetrazol-5-yl)methyl]piperidine is sourced from PubChem (CID 60502223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).