2-[2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine

C19H28F2N2O3S — CID 78097518

IUPAC2-[2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine
SMILESCC(F)(F)CN1CCC(C2CC2CCOc2ccc(S(C)(=O)=O)cn2)CC1
InChIInChI=1S/C19H28F2N2O3S/c1-19(20,21)13-23-8-5-14(6-9-23)17-11-15(17)7-10-26-18-4-3-16(12-22-18)27(2,24)25/h3-4,12,14-15,17H,5-11,13H2,1-2H3
InChIKeyPFHZNRXKBWHHRE-UHFFFAOYSA-N
MW402.51 g/mol
LogP3.26
Rot. Bonds8

About 2-[2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine

2-[2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine (PubChem CID 78097518) has the molecular formula C19H28F2N2O3S and a molecular weight of 402.51 g/mol. Its IUPAC name is 2-[2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-[2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine
PubChem CID78097518
Molecular FormulaC19H28F2N2O3S
Molecular Weight402.51 g/mol
Exact Mass402.18
IUPAC Name2-[2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine
SMILESCC(F)(F)CN1CCC(C2CC2CCOc2ccc(S(C)(=O)=O)cn2)CC1
InChIInChI=1S/C19H28F2N2O3S/c1-19(20,21)13-23-8-5-14(6-9-23)17-11-15(17)7-10-26-18-4-3-16(12-22-18)27(2,24)25/h3-4,12,14-15,17H,5-11,13H2,1-2H3
InChIKeyPFHZNRXKBWHHRE-UHFFFAOYSA-N
XLogP3.26
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine?
The IUPAC name of 2-[2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine (CID 78097518) is 2-[2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine.
What is the SMILES notation for 2-[2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine?
The canonical SMILES for 2-[2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine is CC(F)(F)CN1CCC(C2CC2CCOc2ccc(S(C)(=O)=O)cn2)CC1.
What is the InChIKey of 2-[2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine?
The InChIKey is PFHZNRXKBWHHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N2O3S/c1-19(20,21)13-23-8-5-14(6-9-23)17-11-15(17)7-10-26-18-4-3-16(12-22-18)27(2,24)25/h3-4,12,14-15,17H,5-11,13H2,1-2H3.
What are the key properties of 2-[2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine?
2-[2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine has a molecular weight of 402.51 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine is sourced from PubChem (CID 78097518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).