5-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-amine

C14H22N2O — CID 115466824

IUPAC5-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-amine
SMILESCC1CC(N)CN(C2CCCc3occc32)C1
InChIInChI=1S/C14H22N2O/c1-10-7-11(15)9-16(8-10)13-3-2-4-14-12(13)5-6-17-14/h5-6,10-11,13H,2-4,7-9,15H2,1H3
InChIKeyZLPOLTLRMPYMKT-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.33
Rot. Bonds1

About 5-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-amine

5-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-amine (PubChem CID 115466824) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-amine
PubChem CID115466824
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-amine
SMILESCC1CC(N)CN(C2CCCc3occc32)C1
InChIInChI=1S/C14H22N2O/c1-10-7-11(15)9-16(8-10)13-3-2-4-14-12(13)5-6-17-14/h5-6,10-11,13H,2-4,7-9,15H2,1H3
InChIKeyZLPOLTLRMPYMKT-UHFFFAOYSA-N
XLogP2.33
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]methanamine
CID 113315271
5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine
CID 79987341
ethane;4-methyl-4,5,6,7-tetrahydro-1-benzofuran
CID 123540152
2-methyl-2-[1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]propanoic acid
CID 83198998
4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 115466808
2-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid
CID 115467483
3-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid
CID 113315450
1-(2,6-dimethylcyclohexyl)-5-methylpiperidin-3-amine
CID 79987187
3-(3-amino-5-methylpiperidin-1-yl)oxolan-2-one
CID 79992576
N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 64724815
5-methyl-1-(2-methylcyclopentyl)piperidin-3-amine
CID 79993229
4,4-dimethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 115466810

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-amine?
The IUPAC name of 5-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-amine (CID 115466824) is 5-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-amine.
What is the SMILES notation for 5-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-amine?
The canonical SMILES for 5-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-amine is CC1CC(N)CN(C2CCCc3occc32)C1.
What is the InChIKey of 5-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-amine?
The InChIKey is ZLPOLTLRMPYMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-7-11(15)9-16(8-10)13-3-2-4-14-12(13)5-6-17-14/h5-6,10-11,13H,2-4,7-9,15H2,1H3.
What are the key properties of 5-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-amine?
5-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-amine is sourced from PubChem (CID 115466824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).