3-[(4-methoxypiperidin-1-yl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-ol

C17H28N4O3 — CID 155499903

IUPAC3-[(4-methoxypiperidin-1-yl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-ol
SMILESCOc1ccnc(N2CCCC(O)(CN3CCC(OC)CC3)C2)n1
InChIInChI=1S/C17H28N4O3/c1-23-14-5-10-20(11-6-14)12-17(22)7-3-9-21(13-17)16-18-8-4-15(19-16)24-2/h4,8,14,22H,3,5-7,9-13H2,1-2H3
InChIKeyMEOHCHCNAWBRHS-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.93
Rot. Bonds5

About 3-[(4-methoxypiperidin-1-yl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-ol

3-[(4-methoxypiperidin-1-yl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-ol (PubChem CID 155499903) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[(4-methoxypiperidin-1-yl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name3-[(4-methoxypiperidin-1-yl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-ol
PubChem CID155499903
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name3-[(4-methoxypiperidin-1-yl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-ol
SMILESCOc1ccnc(N2CCCC(O)(CN3CCC(OC)CC3)C2)n1
InChIInChI=1S/C17H28N4O3/c1-23-14-5-10-20(11-6-14)12-17(22)7-3-9-21(13-17)16-18-8-4-15(19-16)24-2/h4,8,14,22H,3,5-7,9-13H2,1-2H3
InChIKeyMEOHCHCNAWBRHS-UHFFFAOYSA-N
XLogP0.93
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(4-methoxypiperidin-1-yl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-ol with MolForge

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Related Compounds

3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol
CID 75511384
1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 63136313
2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610
(3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol
CID 155506237
1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163350924
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
CID 55104995
2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine
CID 82994740
(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420
1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163350972
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63761850
1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166350
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxypiperidin-1-yl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-ol?
The IUPAC name of 3-[(4-methoxypiperidin-1-yl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-ol (CID 155499903) is 3-[(4-methoxypiperidin-1-yl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-ol.
What is the SMILES notation for 3-[(4-methoxypiperidin-1-yl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-ol?
The canonical SMILES for 3-[(4-methoxypiperidin-1-yl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-ol is COc1ccnc(N2CCCC(O)(CN3CCC(OC)CC3)C2)n1.
What is the InChIKey of 3-[(4-methoxypiperidin-1-yl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-ol?
The InChIKey is MEOHCHCNAWBRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-23-14-5-10-20(11-6-14)12-17(22)7-3-9-21(13-17)16-18-8-4-15(19-16)24-2/h4,8,14,22H,3,5-7,9-13H2,1-2H3.
What are the key properties of 3-[(4-methoxypiperidin-1-yl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-ol?
3-[(4-methoxypiperidin-1-yl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-ol has a molecular weight of 336.44 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxypiperidin-1-yl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-ol is sourced from PubChem (CID 155499903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).