(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone

C13H17FN2O2 — CID 115299398

IUPAC(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCC1CCN(C(=O)c2cc(F)ccc2O)CC1N
InChIInChI=1S/C13H17FN2O2/c1-8-4-5-16(7-11(8)15)13(18)10-6-9(14)2-3-12(10)17/h2-3,6,8,11,17H,4-5,7,15H2,1H3
InChIKeyNVDCJFYDTMEYAB-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.34
Rot. Bonds1

About (3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone

(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone (PubChem CID 115299398) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is (3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
PubChem CID115299398
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCC1CCN(C(=O)c2cc(F)ccc2O)CC1N
InChIInChI=1S/C13H17FN2O2/c1-8-4-5-16(7-11(8)15)13(18)10-6-9(14)2-3-12(10)17/h2-3,6,8,11,17H,4-5,7,15H2,1H3
InChIKeyNVDCJFYDTMEYAB-UHFFFAOYSA-N
XLogP1.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79881812
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 114960337
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095
(3-chloro-4-methylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 102961379
(3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107672067
1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid
CID 115298536
(3-bromo-4-methylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 102962015
(4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299105
(5-fluoro-2-hydroxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738496
[3-(2-chloroethyl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 114801111
[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79523643

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of (3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone (CID 115299398) is (3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for (3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for (3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone is CC1CCN(C(=O)c2cc(F)ccc2O)CC1N.
What is the InChIKey of (3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is NVDCJFYDTMEYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8-4-5-16(7-11(8)15)13(18)10-6-9(14)2-3-12(10)17/h2-3,6,8,11,17H,4-5,7,15H2,1H3.
What are the key properties of (3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 252.29 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 115299398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).