2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol

C18H23N3O — CID 91829068

IUPAC2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol
SMILESCc1nccc(C2CCN(CC(O)c3ccccc3)CC2)n1
InChIInChI=1S/C18H23N3O/c1-14-19-10-7-17(20-14)15-8-11-21(12-9-15)13-18(22)16-5-3-2-4-6-16/h2-7,10,15,18,22H,8-9,11-13H2,1H3
InChIKeyHVJPACSRBILJFQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.70
Rot. Bonds4

About 2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol

2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol (PubChem CID 91829068) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol
PubChem CID91829068
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol
SMILESCc1nccc(C2CCN(CC(O)c3ccccc3)CC2)n1
InChIInChI=1S/C18H23N3O/c1-14-19-10-7-17(20-14)15-8-11-21(12-9-15)13-18(22)16-5-3-2-4-6-16/h2-7,10,15,18,22H,8-9,11-13H2,1H3
InChIKeyHVJPACSRBILJFQ-UHFFFAOYSA-N
XLogP2.70
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Bmy-14802
CID 108046
1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium
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Azaperol
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1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-1-yl)-butan-1-ol
CID 10426775
(S)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
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(R)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol
CID 6604868
3-(2-Morpholinopyrimidin-4-yl)phenol
CID 16049526
3-(4-Pyrimidin-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol
CID 19425759
1-(3-Fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol
CID 24824393
(1R)-1-phenyl-2-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 44204624
(1R)-1-phenyl-2-[[6-(4-propan-2-ylphenyl)pyrimidin-4-yl]amino]ethanol
CID 44204626

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol (CID 91829068) is 2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol is Cc1nccc(C2CCN(CC(O)c3ccccc3)CC2)n1.
What is the InChIKey of 2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol?
The InChIKey is HVJPACSRBILJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-19-10-7-17(20-14)15-8-11-21(12-9-15)13-18(22)16-5-3-2-4-6-16/h2-7,10,15,18,22H,8-9,11-13H2,1H3.
What are the key properties of 2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol?
2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol has a molecular weight of 297.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 91829068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).