(2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol

C14H19F3N2O2 — CID 166768642

IUPAC(2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol
SMILESCc1cc(C[C@@H](CO)C(F)(F)F)nc(N2CCOCC2)c1
InChIInChI=1S/C14H19F3N2O2/c1-10-6-12(8-11(9-20)14(15,16)17)18-13(7-10)19-2-4-21-5-3-19/h6-7,11,20H,2-5,8-9H2,1H3/t11-/m0/s1
InChIKeyMEQDMMAOSDTHPH-NSHDSACASA-N
MW304.31 g/mol
LogP1.94
Rot. Bonds4

About (2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol

(2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol (PubChem CID 166768642) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol
PubChem CID166768642
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name(2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol
SMILESCc1cc(C[C@@H](CO)C(F)(F)F)nc(N2CCOCC2)c1
InChIInChI=1S/C14H19F3N2O2/c1-10-6-12(8-11(9-20)14(15,16)17)18-13(7-10)19-2-4-21-5-3-19/h6-7,11,20H,2-5,8-9H2,1H3/t11-/m0/s1
InChIKeyMEQDMMAOSDTHPH-NSHDSACASA-N
XLogP1.94
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol?
The IUPAC name of (2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol (CID 166768642) is (2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol is Cc1cc(C[C@@H](CO)C(F)(F)F)nc(N2CCOCC2)c1.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol?
The InChIKey is MEQDMMAOSDTHPH-NSHDSACASA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-10-6-12(8-11(9-20)14(15,16)17)18-13(7-10)19-2-4-21-5-3-19/h6-7,11,20H,2-5,8-9H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol?
(2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol has a molecular weight of 304.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol is sourced from PubChem (CID 166768642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).