4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine

C15H18FN3 — CID 115054107

IUPAC4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine
SMILESFc1ccccc1-n1cc(CC2CCNCC2)cn1
InChIInChI=1S/C15H18FN3/c16-14-3-1-2-4-15(14)19-11-13(10-18-19)9-12-5-7-17-8-6-12/h1-4,10-12,17H,5-9H2
InChIKeyQOECCGJNXCMNRN-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.55
Rot. Bonds3

About 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine

4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine (PubChem CID 115054107) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine
PubChem CID115054107
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine
SMILESFc1ccccc1-n1cc(CC2CCNCC2)cn1
InChIInChI=1S/C15H18FN3/c16-14-3-1-2-4-15(14)19-11-13(10-18-19)9-12-5-7-17-8-6-12/h1-4,10-12,17H,5-9H2
InChIKeyQOECCGJNXCMNRN-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-[[1-(2-fluorophenyl)pyrazol-4-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidine
CID 70733446
1-(2-fluorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 115054112
4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine
CID 115054052
4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine
CID 117402200
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
4-ethyl-2-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-piperidin-3-yl-1,2,4-triazol-3-one
CID 56715911
1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
CID 119978930
1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 115054113
(7S,9aR)-2-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 126461179
4-cyclopentyloxy-1-(2-fluorophenyl)pyrazole
CID 117229594
N-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine
CID 62717967
N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119794282

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine?
The IUPAC name of 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine (CID 115054107) is 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine.
What is the SMILES notation for 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine?
The canonical SMILES for 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine is Fc1ccccc1-n1cc(CC2CCNCC2)cn1.
What is the InChIKey of 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine?
The InChIKey is QOECCGJNXCMNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c16-14-3-1-2-4-15(14)19-11-13(10-18-19)9-12-5-7-17-8-6-12/h1-4,10-12,17H,5-9H2.
What are the key properties of 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine?
4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine has a molecular weight of 259.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine is sourced from PubChem (CID 115054107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).