[(3R)-3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol

C15H22F3N3O — CID 95551760

IUPAC[(3R)-3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol
SMILESCC[C@@]1(CO)CCCN(c2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C15H22F3N3O/c1-2-14(11-22)6-3-9-21(10-14)13-19-8-5-12(20-13)4-7-15(16,17)18/h5,8,22H,2-4,6-7,9-11H2,1H3/t14-/m1/s1
InChIKeyCNAOTQDZPCQXJP-CQSZACIVSA-N
MW317.36 g/mol
LogP2.96
Rot. Bonds5

About [(3R)-3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol

[(3R)-3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol (PubChem CID 95551760) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is [(3R)-3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol
PubChem CID95551760
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC Name[(3R)-3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol
SMILESCC[C@@]1(CO)CCCN(c2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C15H22F3N3O/c1-2-14(11-22)6-3-9-21(10-14)13-19-8-5-12(20-13)4-7-15(16,17)18/h5,8,22H,2-4,6-7,9-11H2,1H3/t14-/m1/s1
InChIKeyCNAOTQDZPCQXJP-CQSZACIVSA-N
XLogP2.96
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol 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 [(3R)-3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol (CID 95551760) is [(3R)-3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol is CC[C@@]1(CO)CCCN(c2nccc(CCC(F)(F)F)n2)C1.
What is the InChIKey of [(3R)-3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol?
The InChIKey is CNAOTQDZPCQXJP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-2-14(11-22)6-3-9-21(10-14)13-19-8-5-12(20-13)4-7-15(16,17)18/h5,8,22H,2-4,6-7,9-11H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol?
[(3R)-3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol has a molecular weight of 317.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 95551760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).