4-[3,3-difluoro-3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine

C12H19F2N3 — CID 70111335

IUPAC4-[3,3-difluoro-3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine
SMILESCc1[nH]ncc1C(F)(F)CCC1CCNCC1
InChIInChI=1S/C12H19F2N3/c1-9-11(8-16-17-9)12(13,14)5-2-10-3-6-15-7-4-10/h8,10,15H,2-7H2,1H3,(H,16,17)
InChIKeyCKBZMYPJQZSRME-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.59
Rot. Bonds4

About 4-[3,3-difluoro-3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine

4-[3,3-difluoro-3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine (PubChem CID 70111335) has the molecular formula C12H19F2N3 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-[3,3-difluoro-3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine.

Molecular Properties

Compound Name4-[3,3-difluoro-3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine
PubChem CID70111335
Molecular FormulaC12H19F2N3
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name4-[3,3-difluoro-3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine
SMILESCc1[nH]ncc1C(F)(F)CCC1CCNCC1
InChIInChI=1S/C12H19F2N3/c1-9-11(8-16-17-9)12(13,14)5-2-10-3-6-15-7-4-10/h8,10,15H,2-7H2,1H3,(H,16,17)
InChIKeyCKBZMYPJQZSRME-UHFFFAOYSA-N
XLogP2.59
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3,3-difluoro-3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine?
The IUPAC name of 4-[3,3-difluoro-3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine (CID 70111335) is 4-[3,3-difluoro-3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine.
What is the SMILES notation for 4-[3,3-difluoro-3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine?
The canonical SMILES for 4-[3,3-difluoro-3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine is Cc1[nH]ncc1C(F)(F)CCC1CCNCC1.
What is the InChIKey of 4-[3,3-difluoro-3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine?
The InChIKey is CKBZMYPJQZSRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3/c1-9-11(8-16-17-9)12(13,14)5-2-10-3-6-15-7-4-10/h8,10,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 4-[3,3-difluoro-3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine?
4-[3,3-difluoro-3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine has a molecular weight of 243.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-difluoro-3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine is sourced from PubChem (CID 70111335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).