2-[4-(hydroxymethyl)phenyl]-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone

C20H27N3O2 — CID 86284141

IUPAC2-[4-(hydroxymethyl)phenyl]-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(C)n1ccnc1C1CCN(C(=O)Cc2ccc(CO)cc2)CC1
InChIInChI=1S/C20H27N3O2/c1-15(2)23-12-9-21-20(23)18-7-10-22(11-8-18)19(25)13-16-3-5-17(14-24)6-4-16/h3-6,9,12,15,18,24H,7-8,10-11,13-14H2,1-2H3
InChIKeyOPOXZNVVWDNZDE-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.90
Rot. Bonds5

About 2-[4-(hydroxymethyl)phenyl]-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone

2-[4-(hydroxymethyl)phenyl]-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 86284141) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenyl]-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenyl]-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID86284141
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-[4-(hydroxymethyl)phenyl]-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(C)n1ccnc1C1CCN(C(=O)Cc2ccc(CO)cc2)CC1
InChIInChI=1S/C20H27N3O2/c1-15(2)23-12-9-21-20(23)18-7-10-22(11-8-18)19(25)13-16-3-5-17(14-24)6-4-16/h3-6,9,12,15,18,24H,7-8,10-11,13-14H2,1-2H3
InChIKeyOPOXZNVVWDNZDE-UHFFFAOYSA-N
XLogP2.90
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenyl]-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[4-(hydroxymethyl)phenyl]-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone (CID 86284141) is 2-[4-(hydroxymethyl)phenyl]-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenyl]-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-(hydroxymethyl)phenyl]-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone is CC(C)n1ccnc1C1CCN(C(=O)Cc2ccc(CO)cc2)CC1.
What is the InChIKey of 2-[4-(hydroxymethyl)phenyl]-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is OPOXZNVVWDNZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(2)23-12-9-21-20(23)18-7-10-22(11-8-18)19(25)13-16-3-5-17(14-24)6-4-16/h3-6,9,12,15,18,24H,7-8,10-11,13-14H2,1-2H3.
What are the key properties of 2-[4-(hydroxymethyl)phenyl]-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone?
2-[4-(hydroxymethyl)phenyl]-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 341.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenyl]-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 86284141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).