[2-fluoro-5-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone

C16H18FNO3 — CID 137412336

IUPAC[2-fluoro-5-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone
SMILESC#CC(O)c1ccc(F)c(C(=O)N2CCC(OC)CC2)c1
InChIInChI=1S/C16H18FNO3/c1-3-15(19)11-4-5-14(17)13(10-11)16(20)18-8-6-12(21-2)7-9-18/h1,4-5,10,12,15,19H,6-9H2,2H3
InChIKeyOBJLZMDKFQZQIE-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.74
Rot. Bonds3

About [2-fluoro-5-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone

[2-fluoro-5-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone (PubChem CID 137412336) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is [2-fluoro-5-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-fluoro-5-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone
PubChem CID137412336
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name[2-fluoro-5-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone
SMILESC#CC(O)c1ccc(F)c(C(=O)N2CCC(OC)CC2)c1
InChIInChI=1S/C16H18FNO3/c1-3-15(19)11-4-5-14(17)13(10-11)16(20)18-8-6-12(21-2)7-9-18/h1,4-5,10,12,15,19H,6-9H2,2H3
InChIKeyOBJLZMDKFQZQIE-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone
CID 137412334
4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
CID 65388554
[4-(1-cyclobutylprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone
CID 137412335
(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103706547
(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63189041
(2-fluoro-5-nitrophenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532712
(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61150797
(5-chloro-2-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43216619
[3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone
CID 62649265
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
(5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone
CID 157010623
4,5-difluoro-2-(3-methoxypyrrolidine-1-carbonyl)benzoic acid
CID 103531290

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of [2-fluoro-5-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone (CID 137412336) is [2-fluoro-5-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-fluoro-5-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [2-fluoro-5-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone is C#CC(O)c1ccc(F)c(C(=O)N2CCC(OC)CC2)c1.
What is the InChIKey of [2-fluoro-5-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is OBJLZMDKFQZQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-3-15(19)11-4-5-14(17)13(10-11)16(20)18-8-6-12(21-2)7-9-18/h1,4-5,10,12,15,19H,6-9H2,2H3.
What are the key properties of [2-fluoro-5-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone?
[2-fluoro-5-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 291.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 137412336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).