[(3R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol

C16H27N3O2 — CID 97113085

IUPAC[(3R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCCc1nc(N2CCC[C@@](CO)(CCOC)C2)ncc1C
InChIInChI=1S/C16H27N3O2/c1-4-14-13(2)10-17-15(18-14)19-8-5-6-16(11-19,12-20)7-9-21-3/h10,20H,4-9,11-12H2,1-3H3/t16-/m1/s1
InChIKeyKTHCTGSCORSUTN-MRXNPFEDSA-N
MW293.41 g/mol
LogP1.96
Rot. Bonds6

About [(3R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol

[(3R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol (PubChem CID 97113085) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is [(3R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
PubChem CID97113085
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name[(3R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCCc1nc(N2CCC[C@@](CO)(CCOC)C2)ncc1C
InChIInChI=1S/C16H27N3O2/c1-4-14-13(2)10-17-15(18-14)19-8-5-6-16(11-19,12-20)7-9-21-3/h10,20H,4-9,11-12H2,1-3H3/t16-/m1/s1
InChIKeyKTHCTGSCORSUTN-MRXNPFEDSA-N
XLogP1.96
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)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)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol (CID 97113085) is [(3R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol is CCc1nc(N2CCC[C@@](CO)(CCOC)C2)ncc1C.
What is the InChIKey of [(3R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The InChIKey is KTHCTGSCORSUTN-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-14-13(2)10-17-15(18-14)19-8-5-6-16(11-19,12-20)7-9-21-3/h10,20H,4-9,11-12H2,1-3H3/t16-/m1/s1.
What are the key properties of [(3R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
[(3R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol has a molecular weight of 293.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 97113085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).