[1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]methanamine

C14H22N2O — CID 113315271

IUPAC[1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]methanamine
SMILESNCC1CCCN(C2CCCc3occc32)C1
InChIInChI=1S/C14H22N2O/c15-9-11-3-2-7-16(10-11)13-4-1-5-14-12(13)6-8-17-14/h6,8,11,13H,1-5,7,9-10,15H2
InChIKeyKSGPXHJEZBSNBY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.33
Rot. Bonds2

About [1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]methanamine

[1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]methanamine (PubChem CID 113315271) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]methanamine
PubChem CID113315271
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]methanamine
SMILESNCC1CCCN(C2CCCc3occc32)C1
InChIInChI=1S/C14H22N2O/c15-9-11-3-2-7-16(10-11)13-4-1-5-14-12(13)6-8-17-14/h6,8,11,13H,1-5,7,9-10,15H2
InChIKeyKSGPXHJEZBSNBY-UHFFFAOYSA-N
XLogP2.33
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze [1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-amine
CID 115466824
2-methyl-2-[1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]propanoic acid
CID 83198998
2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728467
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine
CID 62840248
2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine
CID 82409419
[(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine
CID 126427460
2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine
CID 79234770
[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
CID 79248149
3-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid
CID 113315450
[(3R)-1-cyclopentylpiperidin-3-yl]methanamine
CID 27440320
5-bromo-3,6-diethyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2H-pyrazine
CID 154453903
4-amino-2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)isoindole-1,3-dione
CID 115466124

Frequently Asked Questions

What is the IUPAC name of [1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]methanamine?
The IUPAC name of [1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]methanamine (CID 113315271) is [1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]methanamine is NCC1CCCN(C2CCCc3occc32)C1.
What is the InChIKey of [1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]methanamine?
The InChIKey is KSGPXHJEZBSNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-9-11-3-2-7-16(10-11)13-4-1-5-14-12(13)6-8-17-14/h6,8,11,13H,1-5,7,9-10,15H2.
What are the key properties of [1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]methanamine?
[1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]methanamine has a molecular weight of 234.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 113315271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).