(3,3-difluoropiperidin-1-yl)-(6-hydroxynaphthalen-1-yl)methanone

C16H15F2NO2 — CID 171934660

IUPAC(3,3-difluoropiperidin-1-yl)-(6-hydroxynaphthalen-1-yl)methanone
SMILESO=C(c1cccc2cc(O)ccc12)N1CCCC(F)(F)C1
InChIInChI=1S/C16H15F2NO2/c17-16(18)7-2-8-19(10-16)15(21)14-4-1-3-11-9-12(20)5-6-13(11)14/h1,3-6,9,20H,2,7-8,10H2
InChIKeyASILNBBGNLUYAU-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.42
Rot. Bonds1

About (3,3-difluoropiperidin-1-yl)-(6-hydroxynaphthalen-1-yl)methanone

(3,3-difluoropiperidin-1-yl)-(6-hydroxynaphthalen-1-yl)methanone (PubChem CID 171934660) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-(6-hydroxynaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-(6-hydroxynaphthalen-1-yl)methanone
PubChem CID171934660
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name(3,3-difluoropiperidin-1-yl)-(6-hydroxynaphthalen-1-yl)methanone
SMILESO=C(c1cccc2cc(O)ccc12)N1CCCC(F)(F)C1
InChIInChI=1S/C16H15F2NO2/c17-16(18)7-2-8-19(10-16)15(21)14-4-1-3-11-9-12(20)5-6-13(11)14/h1,3-6,9,20H,2,7-8,10H2
InChIKeyASILNBBGNLUYAU-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-3-(3,3-difluoropiperidine-1-carbonyl)benzoic acid
CID 169452028
(3,3-difluoropiperidin-1-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]methanone
CID 171396815
(3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone
CID 171396749
(3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone
CID 116991445
(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 103726762
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3,3-difluoropiperidin-1-yl)methanone
CID 71253221
(3,3-dimethylpiperidin-1-yl)-(5-hydroxy-2-nitrophenyl)methanone
CID 102741873
CID 175633312
CID 175633312
(2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103892687
(2,5-dihydroxyphenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 107723207
(3-fluoro-2-methoxyphenyl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56905075
8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16773543

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-(6-hydroxynaphthalen-1-yl)methanone?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-(6-hydroxynaphthalen-1-yl)methanone (CID 171934660) is (3,3-difluoropiperidin-1-yl)-(6-hydroxynaphthalen-1-yl)methanone.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-(6-hydroxynaphthalen-1-yl)methanone?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-(6-hydroxynaphthalen-1-yl)methanone is O=C(c1cccc2cc(O)ccc12)N1CCCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-(6-hydroxynaphthalen-1-yl)methanone?
The InChIKey is ASILNBBGNLUYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-16(18)7-2-8-19(10-16)15(21)14-4-1-3-11-9-12(20)5-6-13(11)14/h1,3-6,9,20H,2,7-8,10H2.
What are the key properties of (3,3-difluoropiperidin-1-yl)-(6-hydroxynaphthalen-1-yl)methanone?
(3,3-difluoropiperidin-1-yl)-(6-hydroxynaphthalen-1-yl)methanone has a molecular weight of 291.30 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-(6-hydroxynaphthalen-1-yl)methanone is sourced from PubChem (CID 171934660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).