N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine

C16H24N2O — CID 106623790

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
SMILESCN(Cc1ccc2c(c1)CCO2)CC1CCCNC1
InChIInChI=1S/C16H24N2O/c1-18(12-14-3-2-7-17-10-14)11-13-4-5-16-15(9-13)6-8-19-16/h4-5,9,14,17H,2-3,6-8,10-12H2,1H3
InChIKeyXPUXYRXAELCQJB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.05
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine (PubChem CID 106623790) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
PubChem CID106623790
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
SMILESCN(Cc1ccc2c(c1)CCO2)CC1CCCNC1
InChIInChI=1S/C16H24N2O/c1-18(12-14-3-2-7-17-10-14)11-13-4-5-16-15(9-13)6-8-19-16/h4-5,9,14,17H,2-3,6-8,10-12H2,1H3
InChIKeyXPUXYRXAELCQJB-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine
CID 65446309
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine
CID 115211376
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107692165
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 104870292
N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623795
3-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperidine
CID 84785524
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119318107
2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 103815780
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815646
2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride
CID 119930822

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine (CID 106623790) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine is CN(Cc1ccc2c(c1)CCO2)CC1CCCNC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine?
The InChIKey is XPUXYRXAELCQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18(12-14-3-2-7-17-10-14)11-13-4-5-16-15(9-13)6-8-19-16/h4-5,9,14,17H,2-3,6-8,10-12H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine has a molecular weight of 260.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 106623790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).