(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone

C17H19NO3 — CID 80710393

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc3ccccc3cc2O)CC1
InChIInChI=1S/C17H19NO3/c1-17(21)6-8-18(9-7-17)16(20)14-10-12-4-2-3-5-13(12)11-15(14)19/h2-5,10-11,19,21H,6-9H2,1H3
InChIKeyHJACFVPYRFOPQF-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.53
Rot. Bonds1

About (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone

(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone (PubChem CID 80710393) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
PubChem CID80710393
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc3ccccc3cc2O)CC1
InChIInChI=1S/C17H19NO3/c1-17(21)6-8-18(9-7-17)16(20)14-10-12-4-2-3-5-13(12)11-15(14)19/h2-5,10-11,19,21H,6-9H2,1H3
InChIKeyHJACFVPYRFOPQF-UHFFFAOYSA-N
XLogP2.53
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103134
(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 82828823
(2,4-dihydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406432
(3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone
CID 62045780
(2-hydroxy-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404889
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779
(5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404871
methyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
CID 17398195
(3,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103957511
(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 80707552
(2-chlorophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406239
(2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81109203

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone (CID 80710393) is (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone is CC1(O)CCN(C(=O)c2cc3ccccc3cc2O)CC1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone?
The InChIKey is HJACFVPYRFOPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(21)6-8-18(9-7-17)16(20)14-10-12-4-2-3-5-13(12)11-15(14)19/h2-5,10-11,19,21H,6-9H2,1H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone has a molecular weight of 285.34 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone is sourced from PubChem (CID 80710393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).