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

C15H20Cl2N2O — CID 43222996

IUPAC1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-11(20)19-8-5-14(6-9-19)18-7-4-12-2-3-13(16)10-15(12)17/h2-3,10,14,18H,4-9H2,1H3
InChIKeyLPYSPMCACIKFMU-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.14
Rot. Bonds4

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

1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone (PubChem CID 43222996) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone
PubChem CID43222996
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-11(20)19-8-5-14(6-9-19)18-7-4-12-2-3-13(16)10-15(12)17/h2-3,10,14,18H,4-9H2,1H3
InChIKeyLPYSPMCACIKFMU-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone (CID 43222996) is 1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone?
The InChIKey is LPYSPMCACIKFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-11(20)19-8-5-14(6-9-19)18-7-4-12-2-3-13(16)10-15(12)17/h2-3,10,14,18H,4-9H2,1H3.
What are the key properties of 1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone?
1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone has a molecular weight of 315.24 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43222996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).