[6-(dimethylamino)-4-(4-fluorophenyl)-5-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]methanol

C18H23FN2O2 — CID 15086840

IUPAC[6-(dimethylamino)-4-(4-fluorophenyl)-5-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]methanol
SMILESCC(C)c1nc(N(C)C)c(CO)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C18H23FN2O2/c1-11(2)17-14(9-22)16(12-5-7-13(19)8-6-12)15(10-23)18(20-17)21(3)4/h5-8,11,22-23H,9-10H2,1-4H3
InChIKeyBRZYZCKTJOVDKF-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.06
Rot. Bonds5

About [6-(dimethylamino)-4-(4-fluorophenyl)-5-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]methanol

[6-(dimethylamino)-4-(4-fluorophenyl)-5-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]methanol (PubChem CID 15086840) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is [6-(dimethylamino)-4-(4-fluorophenyl)-5-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(dimethylamino)-4-(4-fluorophenyl)-5-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]methanol
PubChem CID15086840
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name[6-(dimethylamino)-4-(4-fluorophenyl)-5-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]methanol
SMILESCC(C)c1nc(N(C)C)c(CO)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C18H23FN2O2/c1-11(2)17-14(9-22)16(12-5-7-13(19)8-6-12)15(10-23)18(20-17)21(3)4/h5-8,11,22-23H,9-10H2,1-4H3
InChIKeyBRZYZCKTJOVDKF-UHFFFAOYSA-N
XLogP3.06
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-4-(4-fluorophenyl)-5-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]methanol?
The IUPAC name of [6-(dimethylamino)-4-(4-fluorophenyl)-5-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]methanol (CID 15086840) is [6-(dimethylamino)-4-(4-fluorophenyl)-5-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(dimethylamino)-4-(4-fluorophenyl)-5-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]methanol?
The canonical SMILES for [6-(dimethylamino)-4-(4-fluorophenyl)-5-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]methanol is CC(C)c1nc(N(C)C)c(CO)c(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [6-(dimethylamino)-4-(4-fluorophenyl)-5-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]methanol?
The InChIKey is BRZYZCKTJOVDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-11(2)17-14(9-22)16(12-5-7-13(19)8-6-12)15(10-23)18(20-17)21(3)4/h5-8,11,22-23H,9-10H2,1-4H3.
What are the key properties of [6-(dimethylamino)-4-(4-fluorophenyl)-5-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]methanol?
[6-(dimethylamino)-4-(4-fluorophenyl)-5-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]methanol has a molecular weight of 318.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-4-(4-fluorophenyl)-5-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]methanol is sourced from PubChem (CID 15086840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).