(6-amino-3-pyridinyl)-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methanone

C19H22F2N4O2 — CID 95867547

IUPAC(6-amino-3-pyridinyl)-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cn1
InChIInChI=1S/C19H22F2N4O2/c20-16-3-1-13(9-17(16)21)11-24-6-7-25(12-15(24)5-8-26)19(27)14-2-4-18(22)23-10-14/h1-4,9-10,15,26H,5-8,11-12H2,(H2,22,23)/t15-/m1/s1
InChIKeyOWOXVODELQBIMN-OAHLLOKOSA-N
MW376.41 g/mol
LogP1.65
Rot. Bonds5

About (6-amino-3-pyridinyl)-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methanone

(6-amino-3-pyridinyl)-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 95867547) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-amino-3-pyridinyl)-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID95867547
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name(6-amino-3-pyridinyl)-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cn1
InChIInChI=1S/C19H22F2N4O2/c20-16-3-1-13(9-17(16)21)11-24-6-7-25(12-15(24)5-8-26)19(27)14-2-4-18(22)23-10-14/h1-4,9-10,15,26H,5-8,11-12H2,(H2,22,23)/t15-/m1/s1
InChIKeyOWOXVODELQBIMN-OAHLLOKOSA-N
XLogP1.65
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6-amino-3-pyridinyl)-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95871301
[(3S)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 95888894
2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 45224474
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51622355
2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 2996996
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperazin-2-yl]ethanol
CID 51903451
2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 95870143
2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol
CID 29209101
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628622
2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 45217777
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol
CID 95897732
2-[(2R)-4-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 51636669

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (6-amino-3-pyridinyl)-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 95867547) is (6-amino-3-pyridinyl)-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-amino-3-pyridinyl)-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-amino-3-pyridinyl)-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methanone is Nc1ccc(C(=O)N2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cn1.
What is the InChIKey of (6-amino-3-pyridinyl)-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is OWOXVODELQBIMN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c20-16-3-1-13(9-17(16)21)11-24-6-7-25(12-15(24)5-8-26)19(27)14-2-4-18(22)23-10-14/h1-4,9-10,15,26H,5-8,11-12H2,(H2,22,23)/t15-/m1/s1.
What are the key properties of (6-amino-3-pyridinyl)-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methanone?
(6-amino-3-pyridinyl)-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 376.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-pyridinyl)-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 95867547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).