5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one

C14H18Cl2N2O3 — CID 63661388

IUPAC5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one
SMILESO=C1CCC(NCC(O)COc2cc(Cl)ccc2Cl)CN1
InChIInChI=1S/C14H18Cl2N2O3/c15-9-1-3-12(16)13(5-9)21-8-11(19)7-17-10-2-4-14(20)18-6-10/h1,3,5,10-11,17,19H,2,4,6-8H2,(H,18,20)
InChIKeyYQLSXNYRXDOVPQ-UHFFFAOYSA-N
MW333.22 g/mol
LogP1.60
Rot. Bonds6

About 5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one

5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one (PubChem CID 63661388) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one.

Molecular Properties

Compound Name5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one
PubChem CID63661388
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one
SMILESO=C1CCC(NCC(O)COc2cc(Cl)ccc2Cl)CN1
InChIInChI=1S/C14H18Cl2N2O3/c15-9-1-3-12(16)13(5-9)21-8-11(19)7-17-10-2-4-14(20)18-6-10/h1,3,5,10-11,17,19H,2,4,6-8H2,(H,18,20)
InChIKeyYQLSXNYRXDOVPQ-UHFFFAOYSA-N
XLogP1.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one
CID 106188968
1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62413983
1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
CID 79870883
5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one
CID 63661920
5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one
CID 63663369
methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60649077
2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62490404
[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
CID 9159109
1-(2,5-dichlorophenoxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103746646
1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 3542105
(2S)-1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 2114447
1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol
CID 60633675

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one?
The IUPAC name of 5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one (CID 63661388) is 5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one.
What is the SMILES notation for 5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one?
The canonical SMILES for 5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one is O=C1CCC(NCC(O)COc2cc(Cl)ccc2Cl)CN1.
What is the InChIKey of 5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one?
The InChIKey is YQLSXNYRXDOVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c15-9-1-3-12(16)13(5-9)21-8-11(19)7-17-10-2-4-14(20)18-6-10/h1,3,5,10-11,17,19H,2,4,6-8H2,(H,18,20).
What are the key properties of 5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one?
5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one has a molecular weight of 333.22 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one is sourced from PubChem (CID 63661388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).