3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine

C14H24FN3 — CID 112565553

IUPAC3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine
SMILESCCc1cc(CC(F)C2CCCNC2)n(CC)n1
InChIInChI=1S/C14H24FN3/c1-3-12-8-13(18(4-2)17-12)9-14(15)11-6-5-7-16-10-11/h8,11,14,16H,3-7,9-10H2,1-2H3
InChIKeyCKHHTSDISWZVFC-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.35
Rot. Bonds5

About 3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine

3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine (PubChem CID 112565553) has the molecular formula C14H24FN3 and a molecular weight of 253.36 g/mol. Its IUPAC name is 3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine
PubChem CID112565553
Molecular FormulaC14H24FN3
Molecular Weight253.36 g/mol
Exact Mass253.20
IUPAC Name3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine
SMILESCCc1cc(CC(F)C2CCCNC2)n(CC)n1
InChIInChI=1S/C14H24FN3/c1-3-12-8-13(18(4-2)17-12)9-14(15)11-6-5-7-16-10-11/h8,11,14,16H,3-7,9-10H2,1-2H3
InChIKeyCKHHTSDISWZVFC-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine
CID 112565387
3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
CID 112565371
2-cyclopentyl-3-(1,3-diethylpyrazol-5-yl)-N-ethylpropan-1-amine
CID 115926572
N-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine
CID 107173417
2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol
CID 114283090
3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine
CID 112565336
[2-(1,3-diethylpyrazol-5-yl)-1-(3-methylcyclohexyl)ethyl]hydrazine
CID 105210397
(2R)-1-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine
CID 82755426
N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine
CID 81018717
2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone
CID 116547487
2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone
CID 116548028
1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine
CID 116723522

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine?
The IUPAC name of 3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine (CID 112565553) is 3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine?
The canonical SMILES for 3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine is CCc1cc(CC(F)C2CCCNC2)n(CC)n1.
What is the InChIKey of 3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine?
The InChIKey is CKHHTSDISWZVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3/c1-3-12-8-13(18(4-2)17-12)9-14(15)11-6-5-7-16-10-11/h8,11,14,16H,3-7,9-10H2,1-2H3.
What are the key properties of 3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine?
3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine has a molecular weight of 253.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 112565553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).