[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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Related Compounds

Soticlestat
CID 73437845
4-[3-(hydroxymethyl)anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
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6-(4-((S)-1-((S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl)ethyl)phenyl)nicotinamide
CID 58109674
4-[(3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]benzoic acid
CID 136166845
5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 156646561
((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2H)-yl)(6-methylpyridin-3-yl)methanone
CID 52918124
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-quinolin-3-ylmethanone
CID 54584190
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(6-cyclopropyl-3-pyridinyl)methanone
CID 54585148
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 54585149
[(4R,4aS,8aS)-4-hydroxy-4-pyridin-3-yl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-phenylmethanone
CID 54586103
7-(hydroxymethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide
CID 56951563
3-[4-[(N-pentanoylanilino)methyl]phenyl]pyridine-4-carboxylic acid
CID 162648232

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).