(2R)-1-(4-methylpiperidin-1-yl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol

C14H21F3N4O — CID 95186920

IUPAC(2R)-1-(4-methylpiperidin-1-yl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol
SMILESCC1CCN(C[C@H](O)CNc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N4O/c1-10-3-6-21(7-4-10)9-11(22)8-19-13-18-5-2-12(20-13)14(15,16)17/h2,5,10-11,22H,3-4,6-9H2,1H3,(H,18,19,20)/t11-/m1/s1
InChIKeyDMKQGHSBAXOWDE-LLVKDONJSA-N
MW318.34 g/mol
LogP2.00
Rot. Bonds5

About (2R)-1-(4-methylpiperidin-1-yl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol

(2R)-1-(4-methylpiperidin-1-yl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol (PubChem CID 95186920) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is (2R)-1-(4-methylpiperidin-1-yl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-methylpiperidin-1-yl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol
PubChem CID95186920
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name(2R)-1-(4-methylpiperidin-1-yl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol
SMILESCC1CCN(C[C@H](O)CNc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N4O/c1-10-3-6-21(7-4-10)9-11(22)8-19-13-18-5-2-12(20-13)14(15,16)17/h2,5,10-11,22H,3-4,6-9H2,1H3,(H,18,19,20)/t11-/m1/s1
InChIKeyDMKQGHSBAXOWDE-LLVKDONJSA-N
XLogP2.00
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol (CID 95186920) is (2R)-1-(4-methylpiperidin-1-yl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-methylpiperidin-1-yl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-(4-methylpiperidin-1-yl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol is CC1CCN(C[C@H](O)CNc2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of (2R)-1-(4-methylpiperidin-1-yl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol?
The InChIKey is DMKQGHSBAXOWDE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-10-3-6-21(7-4-10)9-11(22)8-19-13-18-5-2-12(20-13)14(15,16)17/h2,5,10-11,22H,3-4,6-9H2,1H3,(H,18,19,20)/t11-/m1/s1.
What are the key properties of (2R)-1-(4-methylpiperidin-1-yl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol?
(2R)-1-(4-methylpiperidin-1-yl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol has a molecular weight of 318.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylpiperidin-1-yl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 95186920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).