(4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone

C13H17FN2O2 — CID 90382644

IUPAC(4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ccc(F)c(O)c2)CC1
InChIInChI=1S/C13H17FN2O2/c1-15-10-4-6-16(7-5-10)13(18)9-2-3-11(14)12(17)8-9/h2-3,8,10,15,17H,4-7H2,1H3
InChIKeyULLKKPDKEIYLTO-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.36
Rot. Bonds2

About (4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone

(4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 90382644) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is (4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID90382644
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name(4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ccc(F)c(O)c2)CC1
InChIInChI=1S/C13H17FN2O2/c1-15-10-4-6-16(7-5-10)13(18)9-2-3-11(14)12(17)8-9/h2-3,8,10,15,17H,4-7H2,1H3
InChIKeyULLKKPDKEIYLTO-UHFFFAOYSA-N
XLogP1.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81467076
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 89194471
methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate
CID 110821660
(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561523
(3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563275
N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 115738808
(4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone
CID 155531741

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone (CID 90382644) is (4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2ccc(F)c(O)c2)CC1.
What is the InChIKey of (4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is ULLKKPDKEIYLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-15-10-4-6-16(7-5-10)13(18)9-2-3-11(14)12(17)8-9/h2-3,8,10,15,17H,4-7H2,1H3.
What are the key properties of (4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
(4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 252.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 90382644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).