[(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol

C14H23N3O2 — CID 97134898

IUPAC[(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol
SMILESCOCC[C@]1(CO)CCCN(Cc2ncccn2)C1
InChIInChI=1S/C14H23N3O2/c1-19-9-5-14(12-18)4-2-8-17(11-14)10-13-15-6-3-7-16-13/h3,6-7,18H,2,4-5,8-12H2,1H3/t14-/m1/s1
InChIKeyLNUNVAYOQYQJES-CQSZACIVSA-N
MW265.36 g/mol
LogP1.09
Rot. Bonds6

About [(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol

[(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol (PubChem CID 97134898) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol
PubChem CID97134898
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol
SMILESCOCC[C@]1(CO)CCCN(Cc2ncccn2)C1
InChIInChI=1S/C14H23N3O2/c1-19-9-5-14(12-18)4-2-8-17(11-14)10-13-15-6-3-7-16-13/h3,6-7,18H,2,4-5,8-12H2,1H3/t14-/m1/s1
InChIKeyLNUNVAYOQYQJES-CQSZACIVSA-N
XLogP1.09
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methanol
CID 72912581
[3-(2-methoxyethyl)-1-[(5-methylpyrazin-2-yl)methyl]piperidin-3-yl]methanol
CID 72871796
[1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72882518
4-[[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methyl]benzoic acid
CID 97131766
[1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72888469
2-[4-[[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 97131526
[(3R)-3-(3-methoxypropyl)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]methanol
CID 97150707
[(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97131667
[(3R)-3-(2-methoxyethyl)-1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol
CID 97146559
[(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97125314
[1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72863231
[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72874241

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol (CID 97134898) is [(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol is COCC[C@]1(CO)CCCN(Cc2ncccn2)C1.
What is the InChIKey of [(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is LNUNVAYOQYQJES-CQSZACIVSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-19-9-5-14(12-18)4-2-8-17(11-14)10-13-15-6-3-7-16-13/h3,6-7,18H,2,4-5,8-12H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol?
[(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 265.36 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 97134898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).