1-ethyl-3-[(4-fluorophenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine

C17H22FN3 — CID 139934693

IUPAC1-ethyl-3-[(4-fluorophenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine
SMILESCCN1CCCC(Cc2ccc(F)cc2)C1c1ccn[nH]1
InChIInChI=1S/C17H22FN3/c1-2-21-11-3-4-14(17(21)16-9-10-19-20-16)12-13-5-7-15(18)8-6-13/h5-10,14,17H,2-4,11-12H2,1H3,(H,19,20)
InChIKeyRIIRTOSRYZMVMD-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.56
Rot. Bonds4

About 1-ethyl-3-[(4-fluorophenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine

1-ethyl-3-[(4-fluorophenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine (PubChem CID 139934693) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-ethyl-3-[(4-fluorophenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-ethyl-3-[(4-fluorophenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine
PubChem CID139934693
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-ethyl-3-[(4-fluorophenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine
SMILESCCN1CCCC(Cc2ccc(F)cc2)C1c1ccn[nH]1
InChIInChI=1S/C17H22FN3/c1-2-21-11-3-4-14(17(21)16-9-10-19-20-16)12-13-5-7-15(18)8-6-13/h5-10,14,17H,2-4,11-12H2,1H3,(H,19,20)
InChIKeyRIIRTOSRYZMVMD-UHFFFAOYSA-N
XLogP3.56
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-3-[(4-fluorophenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-fluorophenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-ethyl-3-[(4-fluorophenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine (CID 139934693) is 1-ethyl-3-[(4-fluorophenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-ethyl-3-[(4-fluorophenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-ethyl-3-[(4-fluorophenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine is CCN1CCCC(Cc2ccc(F)cc2)C1c1ccn[nH]1.
What is the InChIKey of 1-ethyl-3-[(4-fluorophenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine?
The InChIKey is RIIRTOSRYZMVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-2-21-11-3-4-14(17(21)16-9-10-19-20-16)12-13-5-7-15(18)8-6-13/h5-10,14,17H,2-4,11-12H2,1H3,(H,19,20).
What are the key properties of 1-ethyl-3-[(4-fluorophenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine?
1-ethyl-3-[(4-fluorophenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine has a molecular weight of 287.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-fluorophenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 139934693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).