(3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone

C18H19F2N3O2 — CID 99701659

IUPAC(3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone
SMILESC[C@H](c1ccccn1)N1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1
InChIInChI=1S/C18H19F2N3O2/c1-12(16-4-2-3-5-21-16)22-6-8-23(9-7-22)18(25)13-10-14(19)17(24)15(20)11-13/h2-5,10-12,24H,6-9H2,1H3/t12-/m1/s1
InChIKeyGSEWIMJEYWTBEX-GFCCVEGCSA-N
MW347.37 g/mol
LogP2.58
Rot. Bonds3

About (3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone

(3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone (PubChem CID 99701659) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is (3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone
PubChem CID99701659
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name(3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone
SMILESC[C@H](c1ccccn1)N1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1
InChIInChI=1S/C18H19F2N3O2/c1-12(16-4-2-3-5-21-16)22-6-8-23(9-7-22)18(25)13-10-14(19)17(24)15(20)11-13/h2-5,10-12,24H,6-9H2,1H3/t12-/m1/s1
InChIKeyGSEWIMJEYWTBEX-GFCCVEGCSA-N
XLogP2.58
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(3,5-difluoro-4-hydroxyphenyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 86793671
3-oxo-3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 110480160
(1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 91660636
oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 86844171
2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid
CID 65055730
1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452657
N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 75523393
3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 65055236
2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 75507878
N-(4-methylsulfanylbutan-2-yl)-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 75478310
N-[(2S)-4-methylsulfanylbutan-2-yl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
CID 97308528
4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide
CID 124829259

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone?
The IUPAC name of (3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone (CID 99701659) is (3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone is C[C@H](c1ccccn1)N1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1.
What is the InChIKey of (3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone?
The InChIKey is GSEWIMJEYWTBEX-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-12(16-4-2-3-5-21-16)22-6-8-23(9-7-22)18(25)13-10-14(19)17(24)15(20)11-13/h2-5,10-12,24H,6-9H2,1H3/t12-/m1/s1.
What are the key properties of (3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone?
(3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone has a molecular weight of 347.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 99701659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).