1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone

C20H25NO4 — CID 133124285

IUPAC1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1
InChIInChI=1S/C20H25NO4/c1-24-10-11-25-14-20(23)21-9-8-18(19(22)13-21)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12,18-19,22H,8-11,13-14H2,1H3/t18-,19+/m1/s1
InChIKeyDPZVGHOJSORNNN-MOPGFXCFSA-N
MW343.42 g/mol
LogP2.18
Rot. Bonds6

About 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone

1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone (PubChem CID 133124285) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone
PubChem CID133124285
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1
InChIInChI=1S/C20H25NO4/c1-24-10-11-25-14-20(23)21-9-8-18(19(22)13-21)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12,18-19,22H,8-11,13-14H2,1H3/t18-,19+/m1/s1
InChIKeyDPZVGHOJSORNNN-MOPGFXCFSA-N
XLogP2.18
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]propan-1-one
CID 56715170
3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid
CID 22127361
methyl 1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 50972858
1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone
CID 133127141
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 56722752
1-[(3S,3aS,7aR)-3-(4-methoxyphenyl)-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2-(2-methoxyethoxy)ethanone
CID 110142158
6-chloro-2-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 50953484
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 50952696
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 50984893
(3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 50974295
(2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56723097
(1-ethylpyrazol-4-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56714390

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone?
The IUPAC name of 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone (CID 133124285) is 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone.
What is the SMILES notation for 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone?
The canonical SMILES for 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone is COCCOCC(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1.
What is the InChIKey of 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone?
The InChIKey is DPZVGHOJSORNNN-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H25NO4/c1-24-10-11-25-14-20(23)21-9-8-18(19(22)13-21)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12,18-19,22H,8-11,13-14H2,1H3/t18-,19+/m1/s1.
What are the key properties of 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone?
1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone has a molecular weight of 343.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone is sourced from PubChem (CID 133124285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).