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

C18H24FN3 — CID 56865788

IUPAC3-[2-(4-fluorophenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCn1cc(CN2CCCC(CCc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C18H24FN3/c1-21-12-17(11-20-21)14-22-10-2-3-16(13-22)5-4-15-6-8-18(19)9-7-15/h6-9,11-12,16H,2-5,10,13-14H2,1H3
InChIKeyIXPBDENTYFGLEC-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.40
Rot. Bonds5

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

3-[2-(4-fluorophenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine (PubChem CID 56865788) has the molecular formula C18H24FN3 and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
PubChem CID56865788
Molecular FormulaC18H24FN3
Molecular Weight301.41 g/mol
Exact Mass301.20
IUPAC Name3-[2-(4-fluorophenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCn1cc(CN2CCCC(CCc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C18H24FN3/c1-21-12-17(11-20-21)14-22-10-2-3-16(13-22)5-4-15-6-8-18(19)9-7-15/h6-9,11-12,16H,2-5,10,13-14H2,1H3
InChIKeyIXPBDENTYFGLEC-UHFFFAOYSA-N
XLogP3.40
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine (CID 56865788) is 3-[2-(4-fluorophenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine is Cn1cc(CN2CCCC(CCc3ccc(F)cc3)C2)cn1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The InChIKey is IXPBDENTYFGLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3/c1-21-12-17(11-20-21)14-22-10-2-3-16(13-22)5-4-15-6-8-18(19)9-7-15/h6-9,11-12,16H,2-5,10,13-14H2,1H3.
What are the key properties of 3-[2-(4-fluorophenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
3-[2-(4-fluorophenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine has a molecular weight of 301.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 56865788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).