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

C12H16FN3O2 — CID 107674411

IUPAC[2-(aminomethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
SMILESNCC1CNCCN1C(=O)c1ccc(O)cc1F
InChIInChI=1S/C12H16FN3O2/c13-11-5-9(17)1-2-10(11)12(18)16-4-3-15-7-8(16)6-14/h1-2,5,8,15,17H,3-4,6-7,14H2
InChIKeyILJOAXGWTYIQGZ-UHFFFAOYSA-N
MW253.28 g/mol
LogP-0.10
Rot. Bonds2

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

[2-(aminomethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone (PubChem CID 107674411) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is [2-(aminomethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
PubChem CID107674411
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name[2-(aminomethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
SMILESNCC1CNCCN1C(=O)c1ccc(O)cc1F
InChIInChI=1S/C12H16FN3O2/c13-11-5-9(17)1-2-10(11)12(18)16-4-3-15-7-8(16)6-14/h1-2,5,8,15,17H,3-4,6-7,14H2
InChIKeyILJOAXGWTYIQGZ-UHFFFAOYSA-N
XLogP-0.10
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-4-hydroxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 86819333
[2-(aminomethyl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 104637984
[2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone
CID 104614004
[2-(aminomethyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 113415445
[2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119631398
[2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104669016
(2,4-dihydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672945
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 124517231
(2-fluoro-4-methylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472703
(4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705543
1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone
CID 113415473
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674348

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone?
The IUPAC name of [2-(aminomethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone (CID 107674411) is [2-(aminomethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone is NCC1CNCCN1C(=O)c1ccc(O)cc1F.
What is the InChIKey of [2-(aminomethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone?
The InChIKey is ILJOAXGWTYIQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c13-11-5-9(17)1-2-10(11)12(18)16-4-3-15-7-8(16)6-14/h1-2,5,8,15,17H,3-4,6-7,14H2.
What are the key properties of [2-(aminomethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone?
[2-(aminomethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone has a molecular weight of 253.28 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone is sourced from PubChem (CID 107674411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).