3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol

C17H21N3O — CID 56750474

IUPAC3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol
SMILESOc1cc(CCC2CCCCN2)cc(-c2ncccn2)c1
InChIInChI=1S/C17H21N3O/c21-16-11-13(5-6-15-4-1-2-7-18-15)10-14(12-16)17-19-8-3-9-20-17/h3,8-12,15,18,21H,1-2,4-7H2
InChIKeyIQCPDMRMGGHUER-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.92
Rot. Bonds4

About 3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol

3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol (PubChem CID 56750474) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol.

Molecular Properties

Compound Name3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol
PubChem CID56750474
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol
SMILESOc1cc(CCC2CCCCN2)cc(-c2ncccn2)c1
InChIInChI=1S/C17H21N3O/c21-16-11-13(5-6-15-4-1-2-7-18-15)10-14(12-16)17-19-8-3-9-20-17/h3,8-12,15,18,21H,1-2,4-7H2
InChIKeyIQCPDMRMGGHUER-UHFFFAOYSA-N
XLogP2.92
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyl-4-pyridinyl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
CID 95554178
3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95552841
3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol
CID 56916448
3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95558826
N-cyclopropyl-2-[3-hydroxy-5-(2-piperidin-2-ylethyl)phenyl]pyridine-4-carboxamide
CID 56876819
3-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95708911
3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol
CID 56878303
3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol
CID 56880401
[6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 95399160
3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95722396
3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol
CID 56868049
6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide
CID 95553212

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol?
The IUPAC name of 3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol (CID 56750474) is 3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol.
What is the SMILES notation for 3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol?
The canonical SMILES for 3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol is Oc1cc(CCC2CCCCN2)cc(-c2ncccn2)c1.
What is the InChIKey of 3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol?
The InChIKey is IQCPDMRMGGHUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-16-11-13(5-6-15-4-1-2-7-18-15)10-14(12-16)17-19-8-3-9-20-17/h3,8-12,15,18,21H,1-2,4-7H2.
What are the key properties of 3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol?
3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol has a molecular weight of 283.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol is sourced from PubChem (CID 56750474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).