3-[2-(2,6-difluorophenyl)ethyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine

C19H25F2N3 — CID 56864672

IUPAC3-[2-(2,6-difluorophenyl)ethyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
SMILESCc1nn(C)cc1CN1CCCC(CCc2c(F)cccc2F)C1
InChIInChI=1S/C19H25F2N3/c1-14-16(12-23(2)22-14)13-24-10-4-5-15(11-24)8-9-17-18(20)6-3-7-19(17)21/h3,6-7,12,15H,4-5,8-11,13H2,1-2H3
InChIKeyRAHKHPBSLRWZOF-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.85
Rot. Bonds5

About 3-[2-(2,6-difluorophenyl)ethyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine

3-[2-(2,6-difluorophenyl)ethyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine (PubChem CID 56864672) has the molecular formula C19H25F2N3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-[2-(2,6-difluorophenyl)ethyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[2-(2,6-difluorophenyl)ethyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
PubChem CID56864672
Molecular FormulaC19H25F2N3
Molecular Weight333.43 g/mol
Exact Mass333.20
IUPAC Name3-[2-(2,6-difluorophenyl)ethyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
SMILESCc1nn(C)cc1CN1CCCC(CCc2c(F)cccc2F)C1
InChIInChI=1S/C19H25F2N3/c1-14-16(12-23(2)22-14)13-24-10-4-5-15(11-24)8-9-17-18(20)6-3-7-19(17)21/h3,6-7,12,15H,4-5,8-11,13H2,1-2H3
InChIKeyRAHKHPBSLRWZOF-UHFFFAOYSA-N
XLogP3.85
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-difluorophenyl)ethyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of 3-[2-(2,6-difluorophenyl)ethyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine (CID 56864672) is 3-[2-(2,6-difluorophenyl)ethyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 3-[2-(2,6-difluorophenyl)ethyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 3-[2-(2,6-difluorophenyl)ethyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine is Cc1nn(C)cc1CN1CCCC(CCc2c(F)cccc2F)C1.
What is the InChIKey of 3-[2-(2,6-difluorophenyl)ethyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine?
The InChIKey is RAHKHPBSLRWZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3/c1-14-16(12-23(2)22-14)13-24-10-4-5-15(11-24)8-9-17-18(20)6-3-7-19(17)21/h3,6-7,12,15H,4-5,8-11,13H2,1-2H3.
What are the key properties of 3-[2-(2,6-difluorophenyl)ethyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine?
3-[2-(2,6-difluorophenyl)ethyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine has a molecular weight of 333.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-difluorophenyl)ethyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 56864672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).