2-[4-[[(5-chlorofuran-2-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine

C15H26ClN3O — CID 56827329

IUPAC2-[4-[[(5-chlorofuran-2-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCC(CNCc2ccc(Cl)o2)CC1
InChIInChI=1S/C15H26ClN3O/c1-18(2)9-10-19-7-5-13(6-8-19)11-17-12-14-3-4-15(16)20-14/h3-4,13,17H,5-12H2,1-2H3
InChIKeyWBBWSWUBVNPICY-UHFFFAOYSA-N
MW299.85 g/mol
LogP2.30
Rot. Bonds7

About 2-[4-[[(5-chlorofuran-2-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine

2-[4-[[(5-chlorofuran-2-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine (PubChem CID 56827329) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 2-[4-[[(5-chlorofuran-2-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[[(5-chlorofuran-2-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine
PubChem CID56827329
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name2-[4-[[(5-chlorofuran-2-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCC(CNCc2ccc(Cl)o2)CC1
InChIInChI=1S/C15H26ClN3O/c1-18(2)9-10-19-7-5-13(6-8-19)11-17-12-14-3-4-15(16)20-14/h3-4,13,17H,5-12H2,1-2H3
InChIKeyWBBWSWUBVNPICY-UHFFFAOYSA-N
XLogP2.30
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-chlorofuran-2-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[[(5-chlorofuran-2-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine (CID 56827329) is 2-[4-[[(5-chlorofuran-2-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[[(5-chlorofuran-2-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[[(5-chlorofuran-2-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCC(CNCc2ccc(Cl)o2)CC1.
What is the InChIKey of 2-[4-[[(5-chlorofuran-2-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine?
The InChIKey is WBBWSWUBVNPICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-18(2)9-10-19-7-5-13(6-8-19)11-17-12-14-3-4-15(16)20-14/h3-4,13,17H,5-12H2,1-2H3.
What are the key properties of 2-[4-[[(5-chlorofuran-2-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine?
2-[4-[[(5-chlorofuran-2-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine has a molecular weight of 299.85 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(5-chlorofuran-2-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 56827329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).