(3R)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-piperidin-4-ylmorpholine

C18H22F2N4O — CID 71694160

IUPAC(3R)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-piperidin-4-ylmorpholine
SMILESFc1ccc(-c2cnc([C@@H]3COCCN3C3CCNCC3)[nH]2)c(F)c1
InChIInChI=1S/C18H22F2N4O/c19-12-1-2-14(15(20)9-12)16-10-22-18(23-16)17-11-25-8-7-24(17)13-3-5-21-6-4-13/h1-2,9-10,13,17,21H,3-8,11H2,(H,22,23)/t17-/m0/s1
InChIKeyAYSSPQZLKMOQKZ-KRWDZBQOSA-N
MW348.40 g/mol
LogP2.48
Rot. Bonds3

About (3R)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-piperidin-4-ylmorpholine

(3R)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-piperidin-4-ylmorpholine (PubChem CID 71694160) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is (3R)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-piperidin-4-ylmorpholine.

Molecular Properties

Compound Name(3R)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-piperidin-4-ylmorpholine
PubChem CID71694160
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(3R)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-piperidin-4-ylmorpholine
SMILESFc1ccc(-c2cnc([C@@H]3COCCN3C3CCNCC3)[nH]2)c(F)c1
InChIInChI=1S/C18H22F2N4O/c19-12-1-2-14(15(20)9-12)16-10-22-18(23-16)17-11-25-8-7-24(17)13-3-5-21-6-4-13/h1-2,9-10,13,17,21H,3-8,11H2,(H,22,23)/t17-/m0/s1
InChIKeyAYSSPQZLKMOQKZ-KRWDZBQOSA-N
XLogP2.48
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-piperidin-4-ylmorpholine?
The IUPAC name of (3R)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-piperidin-4-ylmorpholine (CID 71694160) is (3R)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-piperidin-4-ylmorpholine.
What is the SMILES notation for (3R)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-piperidin-4-ylmorpholine?
The canonical SMILES for (3R)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-piperidin-4-ylmorpholine is Fc1ccc(-c2cnc([C@@H]3COCCN3C3CCNCC3)[nH]2)c(F)c1.
What is the InChIKey of (3R)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-piperidin-4-ylmorpholine?
The InChIKey is AYSSPQZLKMOQKZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22F2N4O/c19-12-1-2-14(15(20)9-12)16-10-22-18(23-16)17-11-25-8-7-24(17)13-3-5-21-6-4-13/h1-2,9-10,13,17,21H,3-8,11H2,(H,22,23)/t17-/m0/s1.
What are the key properties of (3R)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-piperidin-4-ylmorpholine?
(3R)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-piperidin-4-ylmorpholine has a molecular weight of 348.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-piperidin-4-ylmorpholine is sourced from PubChem (CID 71694160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).