(2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone

C18H21NO2 — CID 62122713

IUPAC(2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
SMILESCC1CCCN(C(=O)c2cc3ccccc3cc2O)C1C
InChIInChI=1S/C18H21NO2/c1-12-6-5-9-19(13(12)2)18(21)16-10-14-7-3-4-8-15(14)11-17(16)20/h3-4,7-8,10-13,20H,5-6,9H2,1-2H3
InChIKeyYWGKOFCSUBZPKH-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.81
Rot. Bonds1

About (2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone

(2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone (PubChem CID 62122713) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
PubChem CID62122713
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
SMILESCC1CCCN(C(=O)c2cc3ccccc3cc2O)C1C
InChIInChI=1S/C18H21NO2/c1-12-6-5-9-19(13(12)2)18(21)16-10-14-7-3-4-8-15(14)11-17(16)20/h3-4,7-8,10-13,20H,5-6,9H2,1-2H3
InChIKeyYWGKOFCSUBZPKH-UHFFFAOYSA-N
XLogP3.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 11492936
(2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 43403986
(3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone
CID 62045780
(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116461
(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65309438
1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069257
(2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62124769
(2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62123342
(5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122988
3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide
CID 62124684
4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65397198
(4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 79005801

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone?
The IUPAC name of (2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone (CID 62122713) is (2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone.
What is the SMILES notation for (2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone?
The canonical SMILES for (2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone is CC1CCCN(C(=O)c2cc3ccccc3cc2O)C1C.
What is the InChIKey of (2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone?
The InChIKey is YWGKOFCSUBZPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-6-5-9-19(13(12)2)18(21)16-10-14-7-3-4-8-15(14)11-17(16)20/h3-4,7-8,10-13,20H,5-6,9H2,1-2H3.
What are the key properties of (2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone?
(2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone has a molecular weight of 283.37 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone is sourced from PubChem (CID 62122713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).