1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol

C12H19N3O — CID 115871308

IUPAC1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
SMILESCCc1cc(N2CCCC(C)(O)C2)ncn1
InChIInChI=1S/C12H19N3O/c1-3-10-7-11(14-9-13-10)15-6-4-5-12(2,16)8-15/h7,9,16H,3-6,8H2,1-2H3
InChIKeyMPHYEVAVRSSGSJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.39
Rot. Bonds2

About 1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol

1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol (PubChem CID 115871308) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
PubChem CID115871308
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
SMILESCCc1cc(N2CCCC(C)(O)C2)ncn1
InChIInChI=1S/C12H19N3O/c1-3-10-7-11(14-9-13-10)15-6-4-5-12(2,16)8-15/h7,9,16H,3-6,8H2,1-2H3
InChIKeyMPHYEVAVRSSGSJ-UHFFFAOYSA-N
XLogP1.39
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(6-propylpyrimidin-4-yl)pyrrolidin-3-ol
CID 103357775
3-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 103725125
1-[4-[(1S)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876735
1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876717
3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 103725176
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62545846
2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 83070640
3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol
CID 70729852
(3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 178044915
1-(5-chloro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 115871312
1-(6-ethylpyrimidin-4-yl)azetidin-3-amine
CID 63759800
methyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate
CID 114075096

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol?
The IUPAC name of 1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol (CID 115871308) is 1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol is CCc1cc(N2CCCC(C)(O)C2)ncn1.
What is the InChIKey of 1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol?
The InChIKey is MPHYEVAVRSSGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-10-7-11(14-9-13-10)15-6-4-5-12(2,16)8-15/h7,9,16H,3-6,8H2,1-2H3.
What are the key properties of 1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol?
1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 115871308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).