1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine

C17H26N2O — CID 62234085

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine
SMILESCCNC1CCN(CC2Cc3ccccc3O2)CC1C
InChIInChI=1S/C17H26N2O/c1-3-18-16-8-9-19(11-13(16)2)12-15-10-14-6-4-5-7-17(14)20-15/h4-7,13,15-16,18H,3,8-12H2,1-2H3
InChIKeyYNRBVXAIRDKNRN-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.31
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine (PubChem CID 62234085) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine
PubChem CID62234085
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine
SMILESCCNC1CCN(CC2Cc3ccccc3O2)CC1C
InChIInChI=1S/C17H26N2O/c1-3-18-16-8-9-19(11-13(16)2)12-15-10-14-6-4-5-7-17(14)20-15/h4-7,13,15-16,18H,3,8-12H2,1-2H3
InChIKeyYNRBVXAIRDKNRN-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine
CID 115708414
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine
CID 62234271
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 66363591
N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 66364759
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile
CID 66364745
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
CID 62233014
2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 66347219
3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 64952160
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol
CID 66363634
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 80675136
N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 66406529

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine (CID 62234085) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine is CCNC1CCN(CC2Cc3ccccc3O2)CC1C.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine?
The InChIKey is YNRBVXAIRDKNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-18-16-8-9-19(11-13(16)2)12-15-10-14-6-4-5-7-17(14)20-15/h4-7,13,15-16,18H,3,8-12H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine is sourced from PubChem (CID 62234085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).