N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine

C13H18N2O — CID 61017067

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine
SMILESc1cc2c(cc1NC1CCNCC1)CCO2
InChIInChI=1S/C13H18N2O/c1-2-13-10(5-8-16-13)9-12(1)15-11-3-6-14-7-4-11/h1-2,9,11,14-15H,3-8H2
InChIKeyFZUDBMHBLXKFAK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.79
Rot. Bonds2

About N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine

N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine (PubChem CID 61017067) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine
PubChem CID61017067
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine
SMILESc1cc2c(cc1NC1CCNCC1)CCO2
InChIInChI=1S/C13H18N2O/c1-2-13-10(5-8-16-13)9-12(1)15-11-3-6-14-7-4-11/h1-2,9,11,14-15H,3-8H2
InChIKeyFZUDBMHBLXKFAK-UHFFFAOYSA-N
XLogP1.79
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.79
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-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43732753
N-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine
CID 104871540
4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidine
CID 84684730
N-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626838
N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine
CID 61308618
N-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine
CID 79537602
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine
CID 79860663
2,3-dihydro-1-benzofuran-5-yl(piperidin-4-yl)methanol
CID 43146493
4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine
CID 104545402
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 115211290
1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682101
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone
CID 116568338

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine (CID 61017067) is N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine is c1cc2c(cc1NC1CCNCC1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine?
The InChIKey is FZUDBMHBLXKFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-13-10(5-8-16-13)9-12(1)15-11-3-6-14-7-4-11/h1-2,9,11,14-15H,3-8H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine?
N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine has a molecular weight of 218.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine is sourced from PubChem (CID 61017067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).