1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine

C16H20FN3 — CID 90495312

IUPAC1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
SMILESFc1cccc(CN2CCC(Cn3cccn3)CC2)c1
InChIInChI=1S/C16H20FN3/c17-16-4-1-3-15(11-16)12-19-9-5-14(6-10-19)13-20-8-2-7-18-20/h1-4,7-8,11,14H,5-6,9-10,12-13H2
InChIKeyINZIRMVHAWFOKX-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.93
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine

1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine (PubChem CID 90495312) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
PubChem CID90495312
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
SMILESFc1cccc(CN2CCC(Cn3cccn3)CC2)c1
InChIInChI=1S/C16H20FN3/c17-16-4-1-3-15(11-16)12-19-9-5-14(6-10-19)13-20-8-2-7-18-20/h1-4,7-8,11,14H,5-6,9-10,12-13H2
InChIKeyINZIRMVHAWFOKX-UHFFFAOYSA-N
XLogP2.93
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine (CID 90495312) is 1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine is Fc1cccc(CN2CCC(Cn3cccn3)CC2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine?
The InChIKey is INZIRMVHAWFOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c17-16-4-1-3-15(11-16)12-19-9-5-14(6-10-19)13-20-8-2-7-18-20/h1-4,7-8,11,14H,5-6,9-10,12-13H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine?
1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine has a molecular weight of 273.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine is sourced from PubChem (CID 90495312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).