N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C16H26N2O — CID 115465990

IUPACN-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cc2c(o1)CCCC2NCCCN1CCCCC1
InChIInChI=1S/C16H26N2O/c1-2-10-18(11-3-1)12-5-9-17-15-6-4-7-16-14(15)8-13-19-16/h8,13,15,17H,1-7,9-12H2
InChIKeyPMEMTQZBXYIEKN-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.12
Rot. Bonds5

About N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 115465990) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID115465990
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cc2c(o1)CCCC2NCCCN1CCCCC1
InChIInChI=1S/C16H26N2O/c1-2-10-18(11-3-1)12-5-9-17-15-6-4-7-16-14(15)8-13-19-16/h8,13,15,17H,1-7,9-12H2
InChIKeyPMEMTQZBXYIEKN-UHFFFAOYSA-N
XLogP3.12
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide
CID 115466341
N-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]methanesulfonamide
CID 113315133
N-(5-methylsulfanylpentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 107094031
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-1-amine
CID 83007266
N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208271
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanoic acid
CID 115466058
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)azepane-1-sulfonamide
CID 55571263
1-propyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-4-amine
CID 43208258
1-propyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)azepan-4-amine
CID 65074136
4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol
CID 115466423
N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466646
N-(2-methoxy-2-methylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104759614

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 115465990) is N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is c1cc2c(o1)CCCC2NCCCN1CCCCC1.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is PMEMTQZBXYIEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-10-18(11-3-1)12-5-9-17-15-6-4-7-16-14(15)8-13-19-16/h8,13,15,17H,1-7,9-12H2.
What are the key properties of N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 262.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 115465990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).