(2R)-2-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-4-ol

C12H19N3O — CID 18660115

IUPAC(2R)-2-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-4-ol
SMILESC[C@@H]1CC(O)CCN1CCc1cncnc1
InChIInChI=1S/C12H19N3O/c1-10-6-12(16)3-5-15(10)4-2-11-7-13-9-14-8-11/h7-10,12,16H,2-6H2,1H3/t10-,12?/m1/s1
InChIKeyCAHQLGZHTZCGGG-RWANSRKNSA-N
MW221.30 g/mol
LogP0.86
Rot. Bonds3

About (2R)-2-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-4-ol

(2R)-2-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-4-ol (PubChem CID 18660115) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2R)-2-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-4-ol.

Molecular Properties

Compound Name(2R)-2-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-4-ol
PubChem CID18660115
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2R)-2-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-4-ol
SMILESC[C@@H]1CC(O)CCN1CCc1cncnc1
InChIInChI=1S/C12H19N3O/c1-10-6-12(16)3-5-15(10)4-2-11-7-13-9-14-8-11/h7-10,12,16H,2-6H2,1H3/t10-,12?/m1/s1
InChIKeyCAHQLGZHTZCGGG-RWANSRKNSA-N
XLogP0.86
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-4-ol?
The IUPAC name of (2R)-2-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-4-ol (CID 18660115) is (2R)-2-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-4-ol.
What is the SMILES notation for (2R)-2-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-4-ol?
The canonical SMILES for (2R)-2-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-4-ol is C[C@@H]1CC(O)CCN1CCc1cncnc1.
What is the InChIKey of (2R)-2-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-4-ol?
The InChIKey is CAHQLGZHTZCGGG-RWANSRKNSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-6-12(16)3-5-15(10)4-2-11-7-13-9-14-8-11/h7-10,12,16H,2-6H2,1H3/t10-,12?/m1/s1.
What are the key properties of (2R)-2-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-4-ol?
(2R)-2-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-4-ol has a molecular weight of 221.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(2-pyrimidin-5-ylethyl)piperidin-4-ol is sourced from PubChem (CID 18660115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).