1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone

C17H19NO2 — CID 43391540

IUPAC1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)N1CCCC(O)C1
InChIInChI=1S/C17H19NO2/c19-16-6-3-9-18(12-16)17(20)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16,19H,3,6,9,11-12H2
InChIKeyYSLAGZBOUVLKBG-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.37
Rot. Bonds2

About 1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone

1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone (PubChem CID 43391540) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
PubChem CID43391540
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)N1CCCC(O)C1
InChIInChI=1S/C17H19NO2/c19-16-6-3-9-18(12-16)17(20)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16,19H,3,6,9,11-12H2
InChIKeyYSLAGZBOUVLKBG-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
1-[3-(bromomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 80659130
2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 60654838
2-(3-aminophenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 62499989
1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 93040634
1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide
CID 154738536
1-(4-acetyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanone
CID 134061666
1-(4-chloro-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 114682890
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(3-methoxy-4-methylphenyl)ethanone
CID 107224910
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 79873716
1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 110104199
2-[4-(difluoromethoxy)phenyl]-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43393280

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone (CID 43391540) is 1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone is O=C(Cc1ccc2ccccc2c1)N1CCCC(O)C1.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone?
The InChIKey is YSLAGZBOUVLKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-16-6-3-9-18(12-16)17(20)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16,19H,3,6,9,11-12H2.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone?
1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone has a molecular weight of 269.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone is sourced from PubChem (CID 43391540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).