1-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]-2-phenylethanol

C18H25N3O — CID 45174481

IUPAC1-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]-2-phenylethanol
SMILESOC(Cc1ccccc1)C1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C18H25N3O/c22-18(14-16-4-2-1-3-5-16)17-6-9-20(10-7-17)12-13-21-11-8-19-15-21/h1-5,8,11,15,17-18,22H,6-7,9-10,12-14H2
InChIKeyUXZXGKCXUHSYSI-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.20
Rot. Bonds6

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

1-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]-2-phenylethanol (PubChem CID 45174481) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]-2-phenylethanol.

Molecular Properties

Compound Name1-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]-2-phenylethanol
PubChem CID45174481
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]-2-phenylethanol
SMILESOC(Cc1ccccc1)C1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C18H25N3O/c22-18(14-16-4-2-1-3-5-16)17-6-9-20(10-7-17)12-13-21-11-8-19-15-21/h1-5,8,11,15,17-18,22H,6-7,9-10,12-14H2
InChIKeyUXZXGKCXUHSYSI-UHFFFAOYSA-N
XLogP2.20
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]-2-phenylethanol?
The IUPAC name of 1-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]-2-phenylethanol (CID 45174481) is 1-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]-2-phenylethanol.
What is the SMILES notation for 1-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]-2-phenylethanol?
The canonical SMILES for 1-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]-2-phenylethanol is OC(Cc1ccccc1)C1CCN(CCn2ccnc2)CC1.
What is the InChIKey of 1-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]-2-phenylethanol?
The InChIKey is UXZXGKCXUHSYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c22-18(14-16-4-2-1-3-5-16)17-6-9-20(10-7-17)12-13-21-11-8-19-15-21/h1-5,8,11,15,17-18,22H,6-7,9-10,12-14H2.
What are the key properties of 1-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]-2-phenylethanol?
1-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]-2-phenylethanol has a molecular weight of 299.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]-2-phenylethanol is sourced from PubChem (CID 45174481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).