3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine

C14H16FN3 — CID 56744637

IUPAC3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESFc1ccc(-c2cn[nH]c2C2CCCNC2)cc1
InChIInChI=1S/C14H16FN3/c15-12-5-3-10(4-6-12)13-9-17-18-14(13)11-2-1-7-16-8-11/h3-6,9,11,16H,1-2,7-8H2,(H,17,18)
InChIKeyAPVPIEDRAKLNGP-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.68
Rot. Bonds2

About 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine

3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 56744637) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID56744637
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESFc1ccc(-c2cn[nH]c2C2CCCNC2)cc1
InChIInChI=1S/C14H16FN3/c15-12-5-3-10(4-6-12)13-9-17-18-14(13)11-2-1-7-16-8-11/h3-6,9,11,16H,1-2,7-8H2,(H,17,18)
InChIKeyAPVPIEDRAKLNGP-UHFFFAOYSA-N
XLogP2.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine (CID 56744637) is 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine is Fc1ccc(-c2cn[nH]c2C2CCCNC2)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is APVPIEDRAKLNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-12-5-3-10(4-6-12)13-9-17-18-14(13)11-2-1-7-16-8-11/h3-6,9,11,16H,1-2,7-8H2,(H,17,18).
What are the key properties of 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 245.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 56744637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).