N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine

C15H22N2O — CID 115211290

IUPACN-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESc1cc2c(cc1NCCC1CCCNC1)CCO2
InChIInChI=1S/C15H22N2O/c1-2-12(11-16-7-1)5-8-17-14-3-4-15-13(10-14)6-9-18-15/h3-4,10,12,16-17H,1-2,5-9,11H2
InChIKeyHTAUWOQTDMWCDL-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.42
Rot. Bonds4

About N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine

N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 115211290) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine
PubChem CID115211290
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESc1cc2c(cc1NCCC1CCCNC1)CCO2
InChIInChI=1S/C15H22N2O/c1-2-12(11-16-7-1)5-8-17-14-3-4-15-13(10-14)6-9-18-15/h3-4,10,12,16-17H,1-2,5-9,11H2
InChIKeyHTAUWOQTDMWCDL-UHFFFAOYSA-N
XLogP2.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine
CID 115211376
3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine
CID 65446309
N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115211281
4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211278
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 106623790
2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115211282
2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
CID 81278418
N-(2-piperidin-3-ylethyl)-4-propylaniline
CID 115211247
3-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperidine
CID 84785524
3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline
CID 115211260
3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 34439811
3-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248226

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine (CID 115211290) is N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine is c1cc2c(cc1NCCC1CCCNC1)CCO2.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is HTAUWOQTDMWCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-12(11-16-7-1)5-8-17-14-3-4-15-13(10-14)6-9-18-15/h3-4,10,12,16-17H,1-2,5-9,11H2.
What are the key properties of N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine?
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 246.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 115211290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).