2-[2-fluoro-2-methyl-4-(2-methylpyrazol-3-yl)butyl]piperidine

C14H24FN3 — CID 103023215

IUPAC2-[2-fluoro-2-methyl-4-(2-methylpyrazol-3-yl)butyl]piperidine
SMILESCn1nccc1CCC(C)(F)CC1CCCCN1
InChIInChI=1S/C14H24FN3/c1-14(15,11-12-5-3-4-9-16-12)8-6-13-7-10-17-18(13)2/h7,10,12,16H,3-6,8-9,11H2,1-2H3
InChIKeyAJYDXXBSFUJSIM-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.61
Rot. Bonds5

About 2-[2-fluoro-2-methyl-4-(2-methylpyrazol-3-yl)butyl]piperidine

2-[2-fluoro-2-methyl-4-(2-methylpyrazol-3-yl)butyl]piperidine (PubChem CID 103023215) has the molecular formula C14H24FN3 and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-[2-fluoro-2-methyl-4-(2-methylpyrazol-3-yl)butyl]piperidine.

Molecular Properties

Compound Name2-[2-fluoro-2-methyl-4-(2-methylpyrazol-3-yl)butyl]piperidine
PubChem CID103023215
Molecular FormulaC14H24FN3
Molecular Weight253.36 g/mol
Exact Mass253.20
IUPAC Name2-[2-fluoro-2-methyl-4-(2-methylpyrazol-3-yl)butyl]piperidine
SMILESCn1nccc1CCC(C)(F)CC1CCCCN1
InChIInChI=1S/C14H24FN3/c1-14(15,11-12-5-3-4-9-16-12)8-6-13-7-10-17-18(13)2/h7,10,12,16H,3-6,8-9,11H2,1-2H3
InChIKeyAJYDXXBSFUJSIM-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dipropyl-(4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridin-5-yl)-amine
CID 11356479
Dipropyl-(S)-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridin-5-yl-amine
CID 11615489
4-((1-methyl-1H-pyrazol-5-yl)methyl)piperidine
CID 63961604
Dipropyl-(R)-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridin-5-yl-amine
CID 11708363
3-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989017
4-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989018
3-(1-methyl-1H-pyrazol-5-yl)propan-1-amine
CID 55266680
3-(1-methyl-1H-pyrazol-3-yl)piperidine
CID 82414416
4-(1-methyl-1H-pyrazol-3-yl)piperidine
CID 82414451
1-methyl-3-(pyrrolidin-3-yl)-1H-pyrazole
CID 82417224
4-(1,4-dimethyl-1H-pyrazol-5-yl)piperidine
CID 82600316
4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-4-amine
CID 83872256

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-2-methyl-4-(2-methylpyrazol-3-yl)butyl]piperidine?
The IUPAC name of 2-[2-fluoro-2-methyl-4-(2-methylpyrazol-3-yl)butyl]piperidine (CID 103023215) is 2-[2-fluoro-2-methyl-4-(2-methylpyrazol-3-yl)butyl]piperidine.
What is the SMILES notation for 2-[2-fluoro-2-methyl-4-(2-methylpyrazol-3-yl)butyl]piperidine?
The canonical SMILES for 2-[2-fluoro-2-methyl-4-(2-methylpyrazol-3-yl)butyl]piperidine is Cn1nccc1CCC(C)(F)CC1CCCCN1.
What is the InChIKey of 2-[2-fluoro-2-methyl-4-(2-methylpyrazol-3-yl)butyl]piperidine?
The InChIKey is AJYDXXBSFUJSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3/c1-14(15,11-12-5-3-4-9-16-12)8-6-13-7-10-17-18(13)2/h7,10,12,16H,3-6,8-9,11H2,1-2H3.
What are the key properties of 2-[2-fluoro-2-methyl-4-(2-methylpyrazol-3-yl)butyl]piperidine?
2-[2-fluoro-2-methyl-4-(2-methylpyrazol-3-yl)butyl]piperidine has a molecular weight of 253.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-2-methyl-4-(2-methylpyrazol-3-yl)butyl]piperidine is sourced from PubChem (CID 103023215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).