N-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane

C19H30N2O — CID 143221470

IUPACN-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane
SMILESCC.CCCN1CCC(NCc2ccc3occc3c2)CC1
InChIInChI=1S/C17H24N2O.C2H6/c1-2-8-19-9-5-16(6-10-19)18-13-14-3-4-17-15(12-14)7-11-20-17;1-2/h3-4,7,11-12,16,18H,2,5-6,8-10,13H2,1H3;1-2H3
InChIKeyVZOYYNYRUGDZFF-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.42
Rot. Bonds5

About N-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane

N-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane (PubChem CID 143221470) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane.

Molecular Properties

Compound NameN-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane
PubChem CID143221470
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane
SMILESCC.CCCN1CCC(NCc2ccc3occc3c2)CC1
InChIInChI=1S/C17H24N2O.C2H6/c1-2-8-19-9-5-16(6-10-19)18-13-14-3-4-17-15(12-14)7-11-20-17;1-2/h3-4,7,11-12,16,18H,2,5-6,8-10,13H2,1H3;1-2H3
InChIKeyVZOYYNYRUGDZFF-UHFFFAOYSA-N
XLogP4.42
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane 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

1-propyl-N-(quinolin-6-ylmethyl)piperidin-4-amine
CID 60664069
N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine
CID 65479012
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423801
2-fluoro-4-[[(1-propylpiperidin-4-yl)amino]methyl]benzoic acid
CID 106699931
1-[2-[4-(1-benzofuran-5-ylmethylamino)piperidin-1-yl]ethyl]-7-(methoxymethyl)-2-oxoquinoline-4-carboxamide
CID 91360689
1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine
CID 66397545
N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62423623
N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine
CID 97230593
2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol
CID 103603286
N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 43281201
N-[[2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 62279976

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane?
The IUPAC name of N-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane (CID 143221470) is N-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane.
What is the SMILES notation for N-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane?
The canonical SMILES for N-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane is CC.CCCN1CCC(NCc2ccc3occc3c2)CC1.
What is the InChIKey of N-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane?
The InChIKey is VZOYYNYRUGDZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.C2H6/c1-2-8-19-9-5-16(6-10-19)18-13-14-3-4-17-15(12-14)7-11-20-17;1-2/h3-4,7,11-12,16,18H,2,5-6,8-10,13H2,1H3;1-2H3.
What are the key properties of N-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane?
N-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane has a molecular weight of 302.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane is sourced from PubChem (CID 143221470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).