N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine

C17H26N2O — CID 79230131

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine
SMILESCCCN(CC1COc2ccccc21)C1CCNCC1
InChIInChI=1S/C17H26N2O/c1-2-11-19(15-7-9-18-10-8-15)12-14-13-20-17-6-4-3-5-16(14)17/h3-6,14-15,18H,2,7-13H2,1H3
InChIKeyKSFJKJAWKIHKEA-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.63
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine (PubChem CID 79230131) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine
PubChem CID79230131
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine
SMILESCCCN(CC1COc2ccccc21)C1CCNCC1
InChIInChI=1S/C17H26N2O/c1-2-11-19(15-7-9-18-10-8-15)12-14-13-20-17-6-4-3-5-16(14)17/h3-6,14-15,18H,2,7-13H2,1H3
InChIKeyKSFJKJAWKIHKEA-UHFFFAOYSA-N
XLogP2.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226019
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine
CID 63301028
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpiperidin-4-amine
CID 60805439
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 79229248
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106638708
(3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 10538469
N-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride
CID 119825491
N-(oxolan-3-ylmethyl)-N-propylpiperidin-4-amine
CID 61312064
N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine
CID 104771418
N-(2-phenoxyethyl)-N-propylpiperidin-4-amine
CID 60807688
N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine
CID 54923407
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylpyrrolidin-3-amine
CID 66364981

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine (CID 79230131) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine is CCCN(CC1COc2ccccc21)C1CCNCC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine?
The InChIKey is KSFJKJAWKIHKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-11-19(15-7-9-18-10-8-15)12-14-13-20-17-6-4-3-5-16(14)17/h3-6,14-15,18H,2,7-13H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 79230131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).