[6-[2-(hydroxymethyl)phenyl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone

C26H28N2O2 — CID 56865166

IUPAC[6-[2-(hydroxymethyl)phenyl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2CO)nc1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C26H28N2O2/c29-19-23-8-4-5-9-24(23)25-13-12-22(18-27-25)26(30)28-16-14-21(15-17-28)11-10-20-6-2-1-3-7-20/h1-9,12-13,18,21,29H,10-11,14-17,19H2
InChIKeyTWKIPCQRVIFOAY-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.73
Rot. Bonds6

About [6-[2-(hydroxymethyl)phenyl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone

[6-[2-(hydroxymethyl)phenyl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 56865166) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is [6-[2-(hydroxymethyl)phenyl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[2-(hydroxymethyl)phenyl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID56865166
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name[6-[2-(hydroxymethyl)phenyl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2CO)nc1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C26H28N2O2/c29-19-23-8-4-5-9-24(23)25-13-12-22(18-27-25)26(30)28-16-14-21(15-17-28)11-10-20-6-2-1-3-7-20/h1-9,12-13,18,21,29H,10-11,14-17,19H2
InChIKeyTWKIPCQRVIFOAY-UHFFFAOYSA-N
XLogP4.73
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(hydroxymethyl)phenyl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-[2-(hydroxymethyl)phenyl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone (CID 56865166) is [6-[2-(hydroxymethyl)phenyl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-[2-(hydroxymethyl)phenyl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-[2-(hydroxymethyl)phenyl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone is O=C(c1ccc(-c2ccccc2CO)nc1)N1CCC(CCc2ccccc2)CC1.
What is the InChIKey of [6-[2-(hydroxymethyl)phenyl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is TWKIPCQRVIFOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c29-19-23-8-4-5-9-24(23)25-13-12-22(18-27-25)26(30)28-16-14-21(15-17-28)11-10-20-6-2-1-3-7-20/h1-9,12-13,18,21,29H,10-11,14-17,19H2.
What are the key properties of [6-[2-(hydroxymethyl)phenyl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
[6-[2-(hydroxymethyl)phenyl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 400.52 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(hydroxymethyl)phenyl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56865166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).