1-[1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol

C18H30N4O — CID 70737976

IUPAC1-[1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol
SMILESCCc1c(C)nc(C)nc1N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C18H30N4O/c1-4-17-13(2)19-14(3)20-18(17)22-9-5-15(6-10-22)21-11-7-16(23)8-12-21/h15-16,23H,4-12H2,1-3H3
InChIKeyCJPUNKJXBQLBDB-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.08
Rot. Bonds3

About 1-[1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol

1-[1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol (PubChem CID 70737976) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 1-[1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol
PubChem CID70737976
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name1-[1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol
SMILESCCc1c(C)nc(C)nc1N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C18H30N4O/c1-4-17-13(2)19-14(3)20-18(17)22-9-5-15(6-10-22)21-11-7-16(23)8-12-21/h15-16,23H,4-12H2,1-3H3
InChIKeyCJPUNKJXBQLBDB-UHFFFAOYSA-N
XLogP2.08
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{2-[2,4-bis(dimethylamino)-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl]-2-oxoethyl}piperidin-4-ol
CID 56872378
1-[2-(Dimethylamino)-6-(tetrahydro-3-furanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]-4-piperidinol
CID 56891974
1-{2-(Dimethylamino)-6-[3-(methylthio)propyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl}-4-piperidinol
CID 56896863
1-[2-(Dimethylamino)-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]-4-piperidinol
CID 56904981
1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone
CID 56912768
1-[2-(Dimethylamino)-6-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]-4-piperidinol
CID 56914173
[(3R*,4R*)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 70780228
(3S,4S)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 50961476
5-ethyl-6-methyl-N~4~-{3-[(1-methylpiperidin-4-yl)oxy]propyl}pyrimidine-2,4-diamine
CID 72858172
3-[(3R*,4S*)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol
CID 72895556
4-[1-(2,5,6-Trimethylpyrimidin-4-YL)piperidin-4-YL]morpholine
CID 72934401
2-[(2S)-4-(5,6-dimethylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 98771523

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol (CID 70737976) is 1-[1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol is CCc1c(C)nc(C)nc1N1CCC(N2CCC(O)CC2)CC1.
What is the InChIKey of 1-[1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol?
The InChIKey is CJPUNKJXBQLBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-17-13(2)19-14(3)20-18(17)22-9-5-15(6-10-22)21-11-7-16(23)8-12-21/h15-16,23H,4-12H2,1-3H3.
What are the key properties of 1-[1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol?
1-[1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol has a molecular weight of 318.47 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 70737976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).