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

C17H21F2N3 — CID 139934698

IUPAC3-[(3,4-difluorophenyl)methyl]-1-ethyl-2-(1H-pyrazol-5-yl)piperidine
SMILESCCN1CCCC(Cc2ccc(F)c(F)c2)C1c1ccn[nH]1
InChIInChI=1S/C17H21F2N3/c1-2-22-9-3-4-13(17(22)16-7-8-20-21-16)10-12-5-6-14(18)15(19)11-12/h5-8,11,13,17H,2-4,9-10H2,1H3,(H,20,21)
InChIKeyOCNYILHLGFZEKI-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.70
Rot. Bonds4

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

3-[(3,4-difluorophenyl)methyl]-1-ethyl-2-(1H-pyrazol-5-yl)piperidine (PubChem CID 139934698) has the molecular formula C17H21F2N3 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methyl]-1-ethyl-2-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methyl]-1-ethyl-2-(1H-pyrazol-5-yl)piperidine
PubChem CID139934698
Molecular FormulaC17H21F2N3
Molecular Weight305.37 g/mol
Exact Mass305.17
IUPAC Name3-[(3,4-difluorophenyl)methyl]-1-ethyl-2-(1H-pyrazol-5-yl)piperidine
SMILESCCN1CCCC(Cc2ccc(F)c(F)c2)C1c1ccn[nH]1
InChIInChI=1S/C17H21F2N3/c1-2-22-9-3-4-13(17(22)16-7-8-20-21-16)10-12-5-6-14(18)15(19)11-12/h5-8,11,13,17H,2-4,9-10H2,1H3,(H,20,21)
InChIKeyOCNYILHLGFZEKI-UHFFFAOYSA-N
XLogP3.70
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methyl]-1-ethyl-2-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 3-[(3,4-difluorophenyl)methyl]-1-ethyl-2-(1H-pyrazol-5-yl)piperidine (CID 139934698) is 3-[(3,4-difluorophenyl)methyl]-1-ethyl-2-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl]-1-ethyl-2-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 3-[(3,4-difluorophenyl)methyl]-1-ethyl-2-(1H-pyrazol-5-yl)piperidine is CCN1CCCC(Cc2ccc(F)c(F)c2)C1c1ccn[nH]1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methyl]-1-ethyl-2-(1H-pyrazol-5-yl)piperidine?
The InChIKey is OCNYILHLGFZEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3/c1-2-22-9-3-4-13(17(22)16-7-8-20-21-16)10-12-5-6-14(18)15(19)11-12/h5-8,11,13,17H,2-4,9-10H2,1H3,(H,20,21).
What are the key properties of 3-[(3,4-difluorophenyl)methyl]-1-ethyl-2-(1H-pyrazol-5-yl)piperidine?
3-[(3,4-difluorophenyl)methyl]-1-ethyl-2-(1H-pyrazol-5-yl)piperidine has a molecular weight of 305.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methyl]-1-ethyl-2-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 139934698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).