3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine

C10H16FN3 — CID 103132870

IUPAC3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine
SMILESCn1ccc(C(F)C2CCCNC2)n1
InChIInChI=1S/C10H16FN3/c1-14-6-4-9(13-14)10(11)8-3-2-5-12-7-8/h4,6,8,10,12H,2-3,5,7H2,1H3
InChIKeyJNVQKTIEHUFCQR-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.43
Rot. Bonds2

About 3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine

3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine (PubChem CID 103132870) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine
PubChem CID103132870
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine
SMILESCn1ccc(C(F)C2CCCNC2)n1
InChIInChI=1S/C10H16FN3/c1-14-6-4-9(13-14)10(11)8-3-2-5-12-7-8/h4,6,8,10,12H,2-3,5,7H2,1H3
InChIKeyJNVQKTIEHUFCQR-UHFFFAOYSA-N
XLogP1.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[fluoro(piperidin-3-yl)methyl]pyrazine
CID 112565423
cyclopentyl-(1-methylpyrazol-3-yl)methanol
CID 65195941
3-[(4-tert-butylphenyl)-fluoromethyl]piperidine
CID 112565434
3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
CID 112565371
3-[(2,6-difluoro-3-methylphenyl)-fluoromethyl]piperidine
CID 112565433
(3S)-3-[(1S)-1-fluoroethyl]piperidine
CID 124547553
3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine
CID 114691734
3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine
CID 112565466
3-[fluoro(piperidin-3-yl)methyl]pyridin-4-amine
CID 112565468
3-[cyclobutyl(fluoro)methyl]piperidine;hydrochloride
CID 115058477
3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine
CID 112565451
3-[fluoro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 107290834

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine?
The IUPAC name of 3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine (CID 103132870) is 3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine.
What is the SMILES notation for 3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine?
The canonical SMILES for 3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine is Cn1ccc(C(F)C2CCCNC2)n1.
What is the InChIKey of 3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine?
The InChIKey is JNVQKTIEHUFCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-14-6-4-9(13-14)10(11)8-3-2-5-12-7-8/h4,6,8,10,12H,2-3,5,7H2,1H3.
What are the key properties of 3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine?
3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine has a molecular weight of 197.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine is sourced from PubChem (CID 103132870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).