1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone

C17H24N2O3 — CID 169412914

IUPAC1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@](O)(c2ccccc2)[C@H](N2CCOCC2)C1
InChIInChI=1S/C17H24N2O3/c1-14(20)19-8-7-17(21,15-5-3-2-4-6-15)16(13-19)18-9-11-22-12-10-18/h2-6,16,21H,7-13H2,1H3/t16-,17+/m1/s1
InChIKeyQJZGFCTXKUHXPD-SJORKVTESA-N
MW304.39 g/mol
LogP0.83
Rot. Bonds2

About 1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone

1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone (PubChem CID 169412914) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone
PubChem CID169412914
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@](O)(c2ccccc2)[C@H](N2CCOCC2)C1
InChIInChI=1S/C17H24N2O3/c1-14(20)19-8-7-17(21,15-5-3-2-4-6-15)16(13-19)18-9-11-22-12-10-18/h2-6,16,21H,7-13H2,1H3/t16-,17+/m1/s1
InChIKeyQJZGFCTXKUHXPD-SJORKVTESA-N
XLogP0.83
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]methanone;dihydrochloride
CID 171331002
formic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 171712344
furan-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 156602389
1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone
CID 156601705
[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 99768097
1-[(3aR,7aS)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]ethanone
CID 124522375
1-[(3aR,7aR)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]ethanone
CID 98779316
(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 156601702
1-(1-ethyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl)ethanone
CID 131655550
(3S,4S)-3,4-dihydroxy-4-phenylpiperidine-1-carboxylic acid
CID 67332578
1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172661366
(3R,4S)-1-[2-(1,3-dioxan-2-yl)ethyl]-3-(4-methylpiperazin-1-yl)-4-phenylpiperidin-4-ol
CID 171908401

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone (CID 169412914) is 1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone is CC(=O)N1CC[C@](O)(c2ccccc2)[C@H](N2CCOCC2)C1.
What is the InChIKey of 1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone?
The InChIKey is QJZGFCTXKUHXPD-SJORKVTESA-N. The full InChI is InChI=1S/C17H24N2O3/c1-14(20)19-8-7-17(21,15-5-3-2-4-6-15)16(13-19)18-9-11-22-12-10-18/h2-6,16,21H,7-13H2,1H3/t16-,17+/m1/s1.
What are the key properties of 1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone?
1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone has a molecular weight of 304.39 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone is sourced from PubChem (CID 169412914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).