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

C15H22N2O — CID 113284538

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperidin-4-amine
SMILESCC1CC(N)CCN1CC1COc2ccccc21
InChIInChI=1S/C15H22N2O/c1-11-8-13(16)6-7-17(11)9-12-10-18-15-5-3-2-4-14(12)15/h2-5,11-13H,6-10,16H2,1H3
InChIKeyLKOUXDFHUJKSAM-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.97
Rot. Bonds2

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

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperidin-4-amine (PubChem CID 113284538) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperidin-4-amine
PubChem CID113284538
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperidin-4-amine
SMILESCC1CC(N)CCN1CC1COc2ccccc21
InChIInChI=1S/C15H22N2O/c1-11-8-13(16)6-7-17(11)9-12-10-18-15-5-3-2-4-14(12)15/h2-5,11-13H,6-10,16H2,1H3
InChIKeyLKOUXDFHUJKSAM-UHFFFAOYSA-N
XLogP1.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine
CID 82756095
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-3-amine
CID 79230283
2-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-4-yl]ethanamine
CID 79229389
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methylpiperidine-2-carboxylic acid
CID 107072320
ethyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-2-carboxylate
CID 79230459
3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)cyclopentan-1-amine
CID 79465588
N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 79230189
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxypiperidine-4-carboximidamide
CID 79229225
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 79226749
methyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate
CID 115536905
5-methyl-2,3,4,5-tetrahydro-1-benzoxepin-3-amine
CID 142226246
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione
CID 79218362

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperidin-4-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperidin-4-amine (CID 113284538) is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperidin-4-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperidin-4-amine is CC1CC(N)CCN1CC1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperidin-4-amine?
The InChIKey is LKOUXDFHUJKSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-8-13(16)6-7-17(11)9-12-10-18-15-5-3-2-4-14(12)15/h2-5,11-13H,6-10,16H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperidin-4-amine?
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperidin-4-amine has a molecular weight of 246.35 g/mol, XLogP of 1.97, 2 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-3-ylmethyl)-2-methylpiperidin-4-amine is sourced from PubChem (CID 113284538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).