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

C16H17NO3 — CID 43392987

IUPAC(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc2ccccc2c1O)N1CCCC(O)C1
InChIInChI=1S/C16H17NO3/c18-12-5-3-9-17(10-12)16(20)14-8-7-11-4-1-2-6-13(11)15(14)19/h1-2,4,6-8,12,18-19H,3,5,9-10H2
InChIKeyFDQQIOPOZHXRQS-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.14
Rot. Bonds1

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

(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 43392987) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID43392987
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc2ccccc2c1O)N1CCCC(O)C1
InChIInChI=1S/C16H17NO3/c18-12-5-3-9-17(10-12)16(20)14-8-7-11-4-1-2-6-13(11)15(14)19/h1-2,4,6-8,12,18-19H,3,5,9-10H2
InChIKeyFDQQIOPOZHXRQS-UHFFFAOYSA-N
XLogP2.14
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918604
[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 58736699
(3-amino-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 89246142
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
(1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426440
(3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one
CID 129395818
2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid
CID 64604771
[2-(bromomethyl)pyrrolidin-1-yl]-(1-hydroxynaphthalen-2-yl)methanone
CID 80678334
[2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone
CID 171675011
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
(1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300647

Frequently Asked Questions

What is the IUPAC name of (1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone (CID 43392987) is (1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone is O=C(c1ccc2ccccc2c1O)N1CCCC(O)C1.
What is the InChIKey of (1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is FDQQIOPOZHXRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-12-5-3-9-17(10-12)16(20)14-8-7-11-4-1-2-6-13(11)15(14)19/h1-2,4,6-8,12,18-19H,3,5,9-10H2.
What are the key properties of (1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43392987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).