2-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanol

C12H19N3O — CID 62357812

IUPAC2-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESCc1cc(N2CCCC(CCO)C2)ncn1
InChIInChI=1S/C12H19N3O/c1-10-7-12(14-9-13-10)15-5-2-3-11(8-15)4-6-16/h7,9,11,16H,2-6,8H2,1H3
InChIKeyYVMOUPKZZVKCBF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.38
Rot. Bonds3

About 2-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanol

2-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanol (PubChem CID 62357812) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
PubChem CID62357812
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESCc1cc(N2CCCC(CCO)C2)ncn1
InChIInChI=1S/C12H19N3O/c1-10-7-12(14-9-13-10)15-5-2-3-11(8-15)4-6-16/h7,9,11,16H,2-6,8H2,1H3
InChIKeyYVMOUPKZZVKCBF-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-Dimethylpyrimidin-4-yl)piperidin-3-ol
CID 6488733
cis-3-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl}cyclobutanol
CID 91770488
1-(2,6-Dimethylpyrimidin-4-yl)piperidin-4-ol
CID 40145619
(1R*,3S*)-3-methoxy-7-[4-methyl-6-(methylamino)pyrimidin-2-yl]-7-azaspiro[3.5]nonan-1-ol
CID 70780468
(1R*,3S*)-7-[4-methyl-6-(methylamino)-2-pyrimidinyl]-7-azaspiro[3.5]nonane-1,3-diol
CID 72923080
2-[4-(2-Amino-6-methyl-4-pyrimidinyl)-1-(cyclohexylmethyl)-2-piperazinyl]ethanol
CID 56900266
[1-[4-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 60504432
(1-{[(6-Ethylpyrimidin-4-YL)(methyl)amino]methyl}cyclopentyl)methanol
CID 72899244
cis-3-{6-[Methyl(3-morpholin-4-ylpropyl)amino]pyrimidin-4-yl}cyclobutanol
CID 91760801
3-{6-[[2-(Dimethylamino)ethyl](methyl)amino]pyrimidin-4-yl}cyclobutanol
CID 91780467
cis-3-[6-(9-Oxa-2-azaspiro[5.5]undec-2-yl)pyrimidin-4-yl]cyclobutanol
CID 91785403
cis-3-(6-{4-[(1-Methylpiperidin-4-yl)methyl]piperazin-1-yl}pyrimidin-4-yl)cyclobutanol
CID 91794992

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanol (CID 62357812) is 2-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanol is Cc1cc(N2CCCC(CCO)C2)ncn1.
What is the InChIKey of 2-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanol?
The InChIKey is YVMOUPKZZVKCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-7-12(14-9-13-10)15-5-2-3-11(8-15)4-6-16/h7,9,11,16H,2-6,8H2,1H3.
What are the key properties of 2-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanol?
2-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 62357812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).