3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol

C19H25N3O2 — CID 164641718

IUPAC3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol
SMILESCOc1ncc(CN2CCCC[C@@H]2CCc2cccc(O)c2)cn1
InChIInChI=1S/C19H25N3O2/c1-24-19-20-12-16(13-21-19)14-22-10-3-2-6-17(22)9-8-15-5-4-7-18(23)11-15/h4-5,7,11-13,17,23H,2-3,6,8-10,14H2,1H3/t17-/m1/s1
InChIKeyYADOBTSXLDDCSA-QGZVFWFLSA-N
MW327.43 g/mol
LogP3.18
Rot. Bonds6

About 3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol

3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol (PubChem CID 164641718) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol
PubChem CID164641718
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol
SMILESCOc1ncc(CN2CCCC[C@@H]2CCc2cccc(O)c2)cn1
InChIInChI=1S/C19H25N3O2/c1-24-19-20-12-16(13-21-19)14-22-10-3-2-6-17(22)9-8-15-5-4-7-18(23)11-15/h4-5,7,11-13,17,23H,2-3,6,8-10,14H2,1H3/t17-/m1/s1
InChIKeyYADOBTSXLDDCSA-QGZVFWFLSA-N
XLogP3.18
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2S)-2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]-1-methylpyrrole-2-carbonitrile
CID 95706816
2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine
CID 95869234
3-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-2-yl]ethyl]phenol
CID 131907120
3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol
CID 56914006
3-[2-[(2R)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]phenol
CID 25453064
3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol
CID 84673587
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
CID 82979279
3-[(2R,3R,6R)-5-[(2-methoxypyrimidin-5-yl)methyl]-1,5-diazatricyclo[5.2.2.02,6]undecan-3-yl]phenol
CID 56893654
2-methoxy-5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidine
CID 169307356
(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine
CID 95876965
[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone
CID 131919452
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol?
The IUPAC name of 3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol (CID 164641718) is 3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol.
What is the SMILES notation for 3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol?
The canonical SMILES for 3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol is COc1ncc(CN2CCCC[C@@H]2CCc2cccc(O)c2)cn1.
What is the InChIKey of 3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol?
The InChIKey is YADOBTSXLDDCSA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-24-19-20-12-16(13-21-19)14-22-10-3-2-6-17(22)9-8-15-5-4-7-18(23)11-15/h4-5,7,11-13,17,23H,2-3,6,8-10,14H2,1H3/t17-/m1/s1.
What are the key properties of 3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol?
3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol has a molecular weight of 327.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol is sourced from PubChem (CID 164641718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).