[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone

C14H19FN2O2 — CID 79523643

IUPAC[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCN(C)C1CCCN(C(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C14H19FN2O2/c1-16(2)11-4-3-7-17(9-11)14(19)12-8-10(15)5-6-13(12)18/h5-6,8,11,18H,3-4,7,9H2,1-2H3
InChIKeyPLJJRUAKSBSLOU-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.70
Rot. Bonds2

About [3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone

[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone (PubChem CID 79523643) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is [3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
PubChem CID79523643
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCN(C)C1CCCN(C(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C14H19FN2O2/c1-16(2)11-4-3-7-17(9-11)14(19)12-8-10(15)5-6-13(12)18/h5-6,8,11,18H,3-4,7,9H2,1-2H3
InChIKeyPLJJRUAKSBSLOU-UHFFFAOYSA-N
XLogP1.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79881812
(5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090575
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 63091098
(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 114344485
(4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63616283
[3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 103863767
[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299541
[3-(2-bromoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299572
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63615933
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299398

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone (CID 79523643) is [3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for [3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for [3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone is CN(C)C1CCCN(C(=O)c2cc(F)ccc2O)C1.
What is the InChIKey of [3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is PLJJRUAKSBSLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-16(2)11-4-3-7-17(9-11)14(19)12-8-10(15)5-6-13(12)18/h5-6,8,11,18H,3-4,7,9H2,1-2H3.
What are the key properties of [3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 266.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 79523643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).