5-(difluoromethoxy)-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine

C16H23F2N3O2 — CID 124516818

IUPAC5-(difluoromethoxy)-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine
SMILESFC(F)Oc1ccc(NC2CCN(C[C@H]3CCOC3)CC2)nc1
InChIInChI=1S/C16H23F2N3O2/c17-16(18)23-14-1-2-15(19-9-14)20-13-3-6-21(7-4-13)10-12-5-8-22-11-12/h1-2,9,12-13,16H,3-8,10-11H2,(H,19,20)/t12-/m1/s1
InChIKeyMYFXKQOZUXBNEK-GFCCVEGCSA-N
MW327.37 g/mol
LogP2.60
Rot. Bonds6

About 5-(difluoromethoxy)-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine

5-(difluoromethoxy)-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine (PubChem CID 124516818) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.37 g/mol. Its IUPAC name is 5-(difluoromethoxy)-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-(difluoromethoxy)-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine
PubChem CID124516818
Molecular FormulaC16H23F2N3O2
Molecular Weight327.37 g/mol
Exact Mass327.18
IUPAC Name5-(difluoromethoxy)-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine
SMILESFC(F)Oc1ccc(NC2CCN(C[C@H]3CCOC3)CC2)nc1
InChIInChI=1S/C16H23F2N3O2/c17-16(18)23-14-1-2-15(19-9-14)20-13-3-6-21(7-4-13)10-12-5-8-22-11-12/h1-2,9,12-13,16H,3-8,10-11H2,(H,19,20)/t12-/m1/s1
InChIKeyMYFXKQOZUXBNEK-GFCCVEGCSA-N
XLogP2.60
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine?
The IUPAC name of 5-(difluoromethoxy)-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine (CID 124516818) is 5-(difluoromethoxy)-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-(difluoromethoxy)-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine?
The canonical SMILES for 5-(difluoromethoxy)-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine is FC(F)Oc1ccc(NC2CCN(C[C@H]3CCOC3)CC2)nc1.
What is the InChIKey of 5-(difluoromethoxy)-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine?
The InChIKey is MYFXKQOZUXBNEK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c17-16(18)23-14-1-2-15(19-9-14)20-13-3-6-21(7-4-13)10-12-5-8-22-11-12/h1-2,9,12-13,16H,3-8,10-11H2,(H,19,20)/t12-/m1/s1.
What are the key properties of 5-(difluoromethoxy)-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine?
5-(difluoromethoxy)-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine has a molecular weight of 327.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 124516818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).