3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one

C14H19FN2O3 — CID 62093953

IUPAC3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one
SMILESO=C1NCCCC1NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3/c15-10-3-5-12(6-4-10)20-9-11(18)8-17-13-2-1-7-16-14(13)19/h3-6,11,13,17-18H,1-2,7-9H2,(H,16,19)
InChIKeyYKEQWRTXBPJOOV-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.43
Rot. Bonds6

About 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one

3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one (PubChem CID 62093953) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one.

Molecular Properties

Compound Name3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one
PubChem CID62093953
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one
SMILESO=C1NCCCC1NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3/c15-10-3-5-12(6-4-10)20-9-11(18)8-17-13-2-1-7-16-14(13)19/h3-6,11,13,17-18H,1-2,7-9H2,(H,16,19)
InChIKeyYKEQWRTXBPJOOV-UHFFFAOYSA-N
XLogP0.43
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one
CID 62094325
(2S)-1-(4-fluorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 93386645
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidine-3-carboxamide
CID 119305008
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one
CID 62092504
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
CID 61462344
2-[(4-fluorophenoxy)methyl]-6-oxo-N-(2-oxopiperidin-3-yl)-1H-pyrimidine-5-carboxamide
CID 70753750
2-[(4-fluorophenoxy)methyl]-6-oxo-N-[(3S)-2-oxopiperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 97136842
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide
CID 119751711
4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 93381192

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one?
The IUPAC name of 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one (CID 62093953) is 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one.
What is the SMILES notation for 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one?
The canonical SMILES for 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one is O=C1NCCCC1NCC(O)COc1ccc(F)cc1.
What is the InChIKey of 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one?
The InChIKey is YKEQWRTXBPJOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c15-10-3-5-12(6-4-10)20-9-11(18)8-17-13-2-1-7-16-14(13)19/h3-6,11,13,17-18H,1-2,7-9H2,(H,16,19).
What are the key properties of 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one?
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one has a molecular weight of 282.31 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one is sourced from PubChem (CID 62093953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).