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

C17H27N3O — CID 97152689

IUPAC[(3R)-3-(cyclopropylmethyl)-1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCCc1cnc(C)nc1N1CCC[C@@](CO)(CC2CC2)C1
InChIInChI=1S/C17H27N3O/c1-3-15-10-18-13(2)19-16(15)20-8-4-7-17(11-20,12-21)9-14-5-6-14/h10,14,21H,3-9,11-12H2,1-2H3/t17-/m1/s1
InChIKeyWYKWXVKBFRTGCP-QGZVFWFLSA-N
MW289.42 g/mol
LogP2.73
Rot. Bonds5

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

[(3R)-3-(cyclopropylmethyl)-1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 97152689) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [(3R)-3-(cyclopropylmethyl)-1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-(cyclopropylmethyl)-1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID97152689
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[(3R)-3-(cyclopropylmethyl)-1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCCc1cnc(C)nc1N1CCC[C@@](CO)(CC2CC2)C1
InChIInChI=1S/C17H27N3O/c1-3-15-10-18-13(2)19-16(15)20-8-4-7-17(11-20,12-21)9-14-5-6-14/h10,14,21H,3-9,11-12H2,1-2H3/t17-/m1/s1
InChIKeyWYKWXVKBFRTGCP-QGZVFWFLSA-N
XLogP2.73
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(cyclopropylmethyl)-1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-(cyclopropylmethyl)-1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanol (CID 97152689) is [(3R)-3-(cyclopropylmethyl)-1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-(cyclopropylmethyl)-1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-(cyclopropylmethyl)-1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanol is CCc1cnc(C)nc1N1CCC[C@@](CO)(CC2CC2)C1.
What is the InChIKey of [(3R)-3-(cyclopropylmethyl)-1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is WYKWXVKBFRTGCP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-15-10-18-13(2)19-16(15)20-8-4-7-17(11-20,12-21)9-14-5-6-14/h10,14,21H,3-9,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of [(3R)-3-(cyclopropylmethyl)-1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanol?
[(3R)-3-(cyclopropylmethyl)-1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 289.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(cyclopropylmethyl)-1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 97152689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).