(2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one

C12H17FN4O2 — CID 166299019

IUPAC(2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one
SMILESN[C@H](CO)C(=O)N1CCN(c2cncc(F)c2)CC1
InChIInChI=1S/C12H17FN4O2/c13-9-5-10(7-15-6-9)16-1-3-17(4-2-16)12(19)11(14)8-18/h5-7,11,18H,1-4,8,14H2/t11-/m1/s1
InChIKeyDKILGSBTDHNLRJ-LLVKDONJSA-N
MW268.29 g/mol
LogP-0.81
Rot. Bonds3

About (2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one

(2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one (PubChem CID 166299019) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one
PubChem CID166299019
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC Name(2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one
SMILESN[C@H](CO)C(=O)N1CCN(c2cncc(F)c2)CC1
InChIInChI=1S/C12H17FN4O2/c13-9-5-10(7-15-6-9)16-1-3-17(4-2-16)12(19)11(14)8-18/h5-7,11,18H,1-4,8,14H2/t11-/m1/s1
InChIKeyDKILGSBTDHNLRJ-LLVKDONJSA-N
XLogP-0.81
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine
CID 137468280
1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone
CID 138004925
2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 136537490
1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 154763216
(2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one
CID 44574028
2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone
CID 138004927
(2S)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22691202
1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 136537775
[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
CID 154850598
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119827481
[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone
CID 136551235
N-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide
CID 100665806

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one (CID 166299019) is (2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one is N[C@H](CO)C(=O)N1CCN(c2cncc(F)c2)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one?
The InChIKey is DKILGSBTDHNLRJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17FN4O2/c13-9-5-10(7-15-6-9)16-1-3-17(4-2-16)12(19)11(14)8-18/h5-7,11,18H,1-4,8,14H2/t11-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one?
(2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one has a molecular weight of 268.29 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 166299019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).