2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine

C16H28N2O — CID 63163129

IUPAC2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESCCC1(CC)CCN(CCNCc2ccco2)CC1
InChIInChI=1S/C16H28N2O/c1-3-16(4-2)7-10-18(11-8-16)12-9-17-14-15-6-5-13-19-15/h5-6,13,17H,3-4,7-12,14H2,1-2H3
InChIKeyBASWOCULEAPSME-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.27
Rot. Bonds7

About 2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine

2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 63163129) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
PubChem CID63163129
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESCCC1(CC)CCN(CCNCc2ccco2)CC1
InChIInChI=1S/C16H28N2O/c1-3-16(4-2)7-10-18(11-8-16)12-9-17-14-15-6-5-13-19-15/h5-6,13,17H,3-4,7-12,14H2,1-2H3
InChIKeyBASWOCULEAPSME-UHFFFAOYSA-N
XLogP3.27
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 62556363
2-(2,2-dimethylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63218433
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 22213998
2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63503961
2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 60958081
2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63619827
2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 82889367
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 83221323
1-(furan-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115696278
N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine
CID 63143229
1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol
CID 110929404
2-(furan-2-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 60695276

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine (CID 63163129) is 2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine is CCC1(CC)CCN(CCNCc2ccco2)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is BASWOCULEAPSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-16(4-2)7-10-18(11-8-16)12-9-17-14-15-6-5-13-19-15/h5-6,13,17H,3-4,7-12,14H2,1-2H3.
What are the key properties of 2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 264.41 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 63163129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).