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

C14H20FN3O2 — CID 107674394

IUPAC[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
SMILESCC(CN)N1CCN(C(=O)c2ccc(O)cc2F)CC1
InChIInChI=1S/C14H20FN3O2/c1-10(9-16)17-4-6-18(7-5-17)14(20)12-3-2-11(19)8-13(12)15/h2-3,8,10,19H,4-7,9,16H2,1H3
InChIKeyOHXYWYXTLVLENP-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.64
Rot. Bonds3

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

[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone (PubChem CID 107674394) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
PubChem CID107674394
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
SMILESCC(CN)N1CCN(C(=O)c2ccc(O)cc2F)CC1
InChIInChI=1S/C14H20FN3O2/c1-10(9-16)17-4-6-18(7-5-17)14(20)12-3-2-11(19)8-13(12)15/h2-3,8,10,19H,4-7,9,16H2,1H3
InChIKeyOHXYWYXTLVLENP-UHFFFAOYSA-N
XLogP0.64
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674352
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674348
(4-amino-2-fluorophenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62774588
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 63337395
[4-(3-aminopropoxy)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677184
3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid
CID 154746368
(4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43420911
(2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 104873399
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 102801072
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 63337612
3-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119771313
(3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103840749

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone?
The IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone (CID 107674394) is [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone?
The canonical SMILES for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone is CC(CN)N1CCN(C(=O)c2ccc(O)cc2F)CC1.
What is the InChIKey of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone?
The InChIKey is OHXYWYXTLVLENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-10(9-16)17-4-6-18(7-5-17)14(20)12-3-2-11(19)8-13(12)15/h2-3,8,10,19H,4-7,9,16H2,1H3.
What are the key properties of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone?
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone has a molecular weight of 281.33 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone is sourced from PubChem (CID 107674394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).