1-[(1-ethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine

C18H24FN3O — CID 75518408

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine
SMILESCCn1cc(CN2CCC(OCc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C18H24FN3O/c1-2-22-13-16(11-20-22)12-21-9-7-18(8-10-21)23-14-15-3-5-17(19)6-4-15/h3-6,11,13,18H,2,7-10,12,14H2,1H3
InChIKeyCTQSUHVFJREPCE-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.22
Rot. Bonds6

About 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine

1-[(1-ethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine (PubChem CID 75518408) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine
PubChem CID75518408
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine
SMILESCCn1cc(CN2CCC(OCc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C18H24FN3O/c1-2-22-13-16(11-20-22)12-21-9-7-18(8-10-21)23-14-15-3-5-17(19)6-4-15/h3-6,11,13,18H,2,7-10,12,14H2,1H3
InChIKeyCTQSUHVFJREPCE-UHFFFAOYSA-N
XLogP3.22
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine (CID 75518408) is 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine is CCn1cc(CN2CCC(OCc3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine?
The InChIKey is CTQSUHVFJREPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-2-22-13-16(11-20-22)12-21-9-7-18(8-10-21)23-14-15-3-5-17(19)6-4-15/h3-6,11,13,18H,2,7-10,12,14H2,1H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine?
1-[(1-ethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine has a molecular weight of 317.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine is sourced from PubChem (CID 75518408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).