(3R,4R)-4-morpholin-4-yl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol

C17H25F3N4O2 — CID 56863061

IUPAC(3R,4R)-4-morpholin-4-yl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol
SMILESCC(C)c1cc(N2CC[C@@H](N3CCOCC3)[C@H](O)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C17H25F3N4O2/c1-11(2)12-9-15(22-16(21-12)17(18,19)20)24-4-3-13(14(25)10-24)23-5-7-26-8-6-23/h9,11,13-14,25H,3-8,10H2,1-2H3/t13-,14-/m1/s1
InChIKeyBNXDVERHLJMZKP-ZIAGYGMSSA-N
MW374.41 g/mol
LogP1.89
Rot. Bonds3

About (3R,4R)-4-morpholin-4-yl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol

(3R,4R)-4-morpholin-4-yl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol (PubChem CID 56863061) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is (3R,4R)-4-morpholin-4-yl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-morpholin-4-yl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol
PubChem CID56863061
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name(3R,4R)-4-morpholin-4-yl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol
SMILESCC(C)c1cc(N2CC[C@@H](N3CCOCC3)[C@H](O)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C17H25F3N4O2/c1-11(2)12-9-15(22-16(21-12)17(18,19)20)24-4-3-13(14(25)10-24)23-5-7-26-8-6-23/h9,11,13-14,25H,3-8,10H2,1-2H3/t13-,14-/m1/s1
InChIKeyBNXDVERHLJMZKP-ZIAGYGMSSA-N
XLogP1.89
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-4-morpholin-4-yl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

cis-3-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl}cyclobutanol
CID 91770488
2-{4-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanol
CID 56895028
(2S)-2-methyl-3-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-1-propanol
CID 56914426
2-{3-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanol
CID 56915341
4-{6-[1-(Isopropoxyacetyl)-4-piperidinyl]-2-methyl-4-pyrimidinyl}morpholine
CID 70709841
[1-[2-Methyl-6-(4-methylmorpholin-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 110271921
2-[6-[4-(Methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]-4-methylmorpholine
CID 110271922
4-[6-Isopropyl-2-(trifluoromethyl)pyrimidin-4-YL]-2-(trifluoromethyl)morpholine
CID 56880225
3-[2-Methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutanol
CID 91763236
3-[(6-Isopropyl-2-methylpyrimidin-4-yl)(methyl)amino]propane-1,2-diol
CID 50981651
(3S*,4R*)-1-(6-isopropyl-2-methylpyrimidin-4-yl)-3-methoxypiperidin-4-amine
CID 56878500
4-{2-Methyl-6-[1-(4-methyl-3-penten-1-yl)-4-piperidinyl]-4-pyrimidinyl}morpholine
CID 56904542

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-morpholin-4-yl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-morpholin-4-yl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol (CID 56863061) is (3R,4R)-4-morpholin-4-yl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-morpholin-4-yl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-morpholin-4-yl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol is CC(C)c1cc(N2CC[C@@H](N3CCOCC3)[C@H](O)C2)nc(C(F)(F)F)n1.
What is the InChIKey of (3R,4R)-4-morpholin-4-yl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is BNXDVERHLJMZKP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H25F3N4O2/c1-11(2)12-9-15(22-16(21-12)17(18,19)20)24-4-3-13(14(25)10-24)23-5-7-26-8-6-23/h9,11,13-14,25H,3-8,10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-4-morpholin-4-yl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol?
(3R,4R)-4-morpholin-4-yl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 374.41 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-morpholin-4-yl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 56863061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).