[2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-yl-3-pyridinyl]methanediol

C17H21FN2O2 — CID 67918815

IUPAC[2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-yl-3-pyridinyl]methanediol
SMILESCC(C)c1cc(-c2ccc(F)cc2)c(C(O)O)c(N(C)C)n1
InChIInChI=1S/C17H21FN2O2/c1-10(2)14-9-13(11-5-7-12(18)8-6-11)15(17(21)22)16(19-14)20(3)4/h5-10,17,21-22H,1-4H3
InChIKeyCRBGUEGEWUYAMC-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.06
Rot. Bonds4

About [2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-yl-3-pyridinyl]methanediol

[2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-yl-3-pyridinyl]methanediol (PubChem CID 67918815) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is [2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-yl-3-pyridinyl]methanediol.

Molecular Properties

Compound Name[2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-yl-3-pyridinyl]methanediol
PubChem CID67918815
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name[2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-yl-3-pyridinyl]methanediol
SMILESCC(C)c1cc(-c2ccc(F)cc2)c(C(O)O)c(N(C)C)n1
InChIInChI=1S/C17H21FN2O2/c1-10(2)14-9-13(11-5-7-12(18)8-6-11)15(17(21)22)16(19-14)20(3)4/h5-10,17,21-22H,1-4H3
InChIKeyCRBGUEGEWUYAMC-UHFFFAOYSA-N
XLogP3.06
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-yl-3-pyridinyl]methanediol?
The IUPAC name of [2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-yl-3-pyridinyl]methanediol (CID 67918815) is [2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-yl-3-pyridinyl]methanediol.
What is the SMILES notation for [2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-yl-3-pyridinyl]methanediol?
The canonical SMILES for [2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-yl-3-pyridinyl]methanediol is CC(C)c1cc(-c2ccc(F)cc2)c(C(O)O)c(N(C)C)n1.
What is the InChIKey of [2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-yl-3-pyridinyl]methanediol?
The InChIKey is CRBGUEGEWUYAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-10(2)14-9-13(11-5-7-12(18)8-6-11)15(17(21)22)16(19-14)20(3)4/h5-10,17,21-22H,1-4H3.
What are the key properties of [2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-yl-3-pyridinyl]methanediol?
[2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-yl-3-pyridinyl]methanediol has a molecular weight of 304.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-yl-3-pyridinyl]methanediol is sourced from PubChem (CID 67918815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).