2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone

C18H24Cl2N2O2 — CID 15123216

IUPAC2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N1CCCCC1CN1CCC(O)C1
InChIInChI=1S/C18H24Cl2N2O2/c19-16-5-4-13(9-17(16)20)10-18(24)22-7-2-1-3-14(22)11-21-8-6-15(23)12-21/h4-5,9,14-15,23H,1-3,6-8,10-12H2
InChIKeyCMEJZCCOTAAGJD-UHFFFAOYSA-N
MW371.31 g/mol
LogP2.98
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone

2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 15123216) has the molecular formula C18H24Cl2N2O2 and a molecular weight of 371.31 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID15123216
Molecular FormulaC18H24Cl2N2O2
Molecular Weight371.31 g/mol
Exact Mass370.12
IUPAC Name2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N1CCCCC1CN1CCC(O)C1
InChIInChI=1S/C18H24Cl2N2O2/c19-16-5-4-13(9-17(16)20)10-18(24)22-7-2-1-3-14(22)11-21-8-6-15(23)12-21/h4-5,9,14-15,23H,1-3,6-8,10-12H2
InChIKeyCMEJZCCOTAAGJD-UHFFFAOYSA-N
XLogP2.98
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone (CID 15123216) is 2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone is O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCCC1CN1CCC(O)C1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is CMEJZCCOTAAGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2/c19-16-5-4-13(9-17(16)20)10-18(24)22-7-2-1-3-14(22)11-21-8-6-15(23)12-21/h4-5,9,14-15,23H,1-3,6-8,10-12H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone?
2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 371.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 15123216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).