2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone

C18H24Cl2N2O3 — CID 138580569

IUPAC2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCC(NCCC2CC2O)CC1
InChIInChI=1S/C18H24Cl2N2O3/c19-13-1-2-17(15(20)10-13)25-11-18(24)22-7-4-14(5-8-22)21-6-3-12-9-16(12)23/h1-2,10,12,14,16,21,23H,3-9,11H2
InChIKeyPUNPJGJNNFJTMT-UHFFFAOYSA-N
MW387.31 g/mol
LogP2.72
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone

2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone (PubChem CID 138580569) has the molecular formula C18H24Cl2N2O3 and a molecular weight of 387.31 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone
PubChem CID138580569
Molecular FormulaC18H24Cl2N2O3
Molecular Weight387.31 g/mol
Exact Mass386.12
IUPAC Name2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCC(NCCC2CC2O)CC1
InChIInChI=1S/C18H24Cl2N2O3/c19-13-1-2-17(15(20)10-13)25-11-18(24)22-7-4-14(5-8-22)21-6-3-12-9-16(12)23/h1-2,10,12,14,16,21,23H,3-9,11H2
InChIKeyPUNPJGJNNFJTMT-UHFFFAOYSA-N
XLogP2.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone (CID 138580569) is 2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone is O=C(COc1ccc(Cl)cc1Cl)N1CCC(NCCC2CC2O)CC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone?
The InChIKey is PUNPJGJNNFJTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O3/c19-13-1-2-17(15(20)10-13)25-11-18(24)22-7-4-14(5-8-22)21-6-3-12-9-16(12)23/h1-2,10,12,14,16,21,23H,3-9,11H2.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone?
2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone has a molecular weight of 387.31 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 138580569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).