(2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone

C18H21NO2 — CID 43403986

IUPAC(2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C18H21NO2/c1-2-15-9-5-6-10-19(15)18(21)16-11-13-7-3-4-8-14(13)12-17(16)20/h3-4,7-8,11-12,15,20H,2,5-6,9-10H2,1H3
InChIKeyPGVSGWQGNXWFQT-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.95
Rot. Bonds2

About (2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone

(2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone (PubChem CID 43403986) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
PubChem CID43403986
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C18H21NO2/c1-2-15-9-5-6-10-19(15)18(21)16-11-13-7-3-4-8-14(13)12-17(16)20/h3-4,7-8,11-12,15,20H,2,5-6,9-10H2,1H3
InChIKeyPGVSGWQGNXWFQT-UHFFFAOYSA-N
XLogP3.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
(2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 62122713
2-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 43266727
(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 106501379
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637
(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one
CID 7619297
1-(3-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 11492936
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846
(2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 55137776

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone (CID 43403986) is (2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone is CCC1CCCCN1C(=O)c1cc2ccccc2cc1O.
What is the InChIKey of (2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone?
The InChIKey is PGVSGWQGNXWFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-15-9-5-6-10-19(15)18(21)16-11-13-7-3-4-8-14(13)12-17(16)20/h3-4,7-8,11-12,15,20H,2,5-6,9-10H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone?
(2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone has a molecular weight of 283.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone is sourced from PubChem (CID 43403986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).