1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol

C16H23Cl2NO3 — CID 110877407

IUPAC1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
SMILESOCCC1CCCCN1CC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H23Cl2NO3/c17-12-4-5-15(18)16(9-12)22-11-14(21)10-19-7-2-1-3-13(19)6-8-20/h4-5,9,13-14,20-21H,1-3,6-8,10-11H2
InChIKeyJLWDCXJOUDCSAL-UHFFFAOYSA-N
MW348.27 g/mol
LogP2.97
Rot. Bonds7

About 1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol

1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol (PubChem CID 110877407) has the molecular formula C16H23Cl2NO3 and a molecular weight of 348.27 g/mol. Its IUPAC name is 1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
PubChem CID110877407
Molecular FormulaC16H23Cl2NO3
Molecular Weight348.27 g/mol
Exact Mass347.11
IUPAC Name1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
SMILESOCCC1CCCCN1CC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H23Cl2NO3/c17-12-4-5-15(18)16(9-12)22-11-14(21)10-19-7-2-1-3-13(19)6-8-20/h4-5,9,13-14,20-21H,1-3,6-8,10-11H2
InChIKeyJLWDCXJOUDCSAL-UHFFFAOYSA-N
XLogP2.97
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 110877404
1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride
CID 21236718
1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol;hydrochloride
CID 44782330
2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690332
(2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 11869844
(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51422995
(2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 95357883
2-[1-[2-(2-chlorophenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690193
1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 61406761
2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol
CID 60690500
[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
CID 9159109
2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
CID 82215800

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol (CID 110877407) is 1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol is OCCC1CCCCN1CC(O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is JLWDCXJOUDCSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO3/c17-12-4-5-15(18)16(9-12)22-11-14(21)10-19-7-2-1-3-13(19)6-8-20/h4-5,9,13-14,20-21H,1-3,6-8,10-11H2.
What are the key properties of 1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 348.27 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 110877407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).