3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid

C16H17NO3 — CID 22127361

IUPAC3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc3ccccc3c2)C(O)C1
InChIInChI=1S/C16H17NO3/c18-15-10-17(16(19)20)8-7-14(15)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15,18H,7-8,10H2,(H,19,20)
InChIKeyMUQROHNLMRLHST-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.67
Rot. Bonds1

About 3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid

3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid (PubChem CID 22127361) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid
PubChem CID22127361
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc3ccccc3c2)C(O)C1
InChIInChI=1S/C16H17NO3/c18-15-10-17(16(19)20)8-7-14(15)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15,18H,7-8,10H2,(H,19,20)
InChIKeyMUQROHNLMRLHST-UHFFFAOYSA-N
XLogP2.67
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]propan-1-one
CID 56715170
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-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 133124285
(2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56720609
(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
[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 133121327
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 56722752
(1-ethylpyrazol-4-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56714390
6-chloro-2-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 50953484
3-hydroxy-4-[4-[(E)-4-phenoxybut-2-enoxy]phenyl]piperidine-1-carboxylic acid
CID 22127935

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid?
The IUPAC name of 3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid (CID 22127361) is 3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid is O=C(O)N1CCC(c2ccc3ccccc3c2)C(O)C1.
What is the InChIKey of 3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid?
The InChIKey is MUQROHNLMRLHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-15-10-17(16(19)20)8-7-14(15)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15,18H,7-8,10H2,(H,19,20).
What are the key properties of 3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid?
3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid is sourced from PubChem (CID 22127361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).