1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine

C17H26N2O — CID 65444676

IUPAC1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1CCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H26N2O/c1-18-13-16-4-2-3-9-19(16)10-7-14-5-6-17-15(12-14)8-11-20-17/h5-6,12,16,18H,2-4,7-11,13H2,1H3
InChIKeyDSTHEIDISILBPF-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.24
Rot. Bonds5

About 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine

1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine (PubChem CID 65444676) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
PubChem CID65444676
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1CCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H26N2O/c1-18-13-16-4-2-3-9-19(16)10-7-14-5-6-17-15(12-14)8-11-20-17/h5-6,12,16,18H,2-4,7-11,13H2,1H3
InChIKeyDSTHEIDISILBPF-UHFFFAOYSA-N
XLogP2.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 65446001
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80506838
4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 65445385
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 65431601
N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]acetamide
CID 171130329
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915626
3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine
CID 154807715
(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
CID 46220656
4-(1-bromoethyl)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 106838375
cis-(1R,2R)-2-[(3S)-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholin-3-yl]cyclopentan-1-ol
CID 129351561
methyl 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholine-3-carboxylate
CID 115670642
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5,5-dimethylpiperazine
CID 65443260

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine (CID 65444676) is 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1CCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine?
The InChIKey is DSTHEIDISILBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-18-13-16-4-2-3-9-19(16)10-7-14-5-6-17-15(12-14)8-11-20-17/h5-6,12,16,18H,2-4,7-11,13H2,1H3.
What are the key properties of 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine?
1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine has a molecular weight of 274.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 65444676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).