[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone

C13H17FN2O2 — CID 107015808

IUPAC[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
SMILESNCC1CCCCN1C(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H17FN2O2/c14-9-4-5-11(12(17)7-9)13(18)16-6-2-1-3-10(16)8-15/h4-5,7,10,17H,1-3,6,8,15H2
InChIKeyADMLKOUQRMJKGP-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.48
Rot. Bonds2

About [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone

[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone (PubChem CID 107015808) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
PubChem CID107015808
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
SMILESNCC1CCCCN1C(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H17FN2O2/c14-9-4-5-11(12(17)7-9)13(18)16-6-2-1-3-10(16)8-15/h4-5,7,10,17H,1-3,6,8,15H2
InChIKeyADMLKOUQRMJKGP-UHFFFAOYSA-N
XLogP1.48
TPSA66.56 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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 113265487
(4-fluoro-2-hydroxyphenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
CID 107015756
[2-(aminomethyl)piperidin-1-yl]-(2-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119468080
(4-fluoro-2-hydroxyphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 107015758
1-[1-(4-fluoro-2-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 107014985
[2-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119631884
[2-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299399
(4-fluoro-2-hydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103933013
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
1-(4-fluoro-2-hydroxybenzoyl)azepane-2-carboxylic acid
CID 107013626
[2-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119468484
1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 107016253

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone (CID 107015808) is [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone is NCC1CCCCN1C(=O)c1ccc(F)cc1O.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is ADMLKOUQRMJKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-9-4-5-11(12(17)7-9)13(18)16-6-2-1-3-10(16)8-15/h4-5,7,10,17H,1-3,6,8,15H2.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 252.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 107015808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).