N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-piperidin-1-ylpropan-1-amine

C17H23ClN2O — CID 82764654

IUPACN-[(2-chloro-1-benzofuran-3-yl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCC(CNCc1c(Cl)oc2ccccc12)N1CCCCC1
InChIInChI=1S/C17H23ClN2O/c1-13(20-9-5-2-6-10-20)11-19-12-15-14-7-3-4-8-16(14)21-17(15)18/h3-4,7-8,13,19H,2,5-6,9-12H2,1H3
InChIKeyJGXOHFCRZIKNDJ-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.05
Rot. Bonds5

About N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-piperidin-1-ylpropan-1-amine

N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-piperidin-1-ylpropan-1-amine (PubChem CID 82764654) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-2-piperidin-1-ylpropan-1-amine
PubChem CID82764654
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCC(CNCc1c(Cl)oc2ccccc12)N1CCCCC1
InChIInChI=1S/C17H23ClN2O/c1-13(20-9-5-2-6-10-20)11-19-12-15-14-7-3-4-8-16(14)21-17(15)18/h3-4,7-8,13,19H,2,5-6,9-12H2,1H3
InChIKeyJGXOHFCRZIKNDJ-UHFFFAOYSA-N
XLogP4.05
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol
CID 103866198
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 82764642
3-[(2-chloro-1-benzofuran-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 82711670
N-[(2-chloro-1-benzofuran-3-yl)methyl]but-3-yn-1-amine
CID 82760375
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
CID 82704699
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine
CID 82760458
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine
CID 113488701
N-(1H-indol-3-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 61034726
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 82705234

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-piperidin-1-ylpropan-1-amine (CID 82764654) is N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-piperidin-1-ylpropan-1-amine is CC(CNCc1c(Cl)oc2ccccc12)N1CCCCC1.
What is the InChIKey of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-piperidin-1-ylpropan-1-amine?
The InChIKey is JGXOHFCRZIKNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-13(20-9-5-2-6-10-20)11-19-12-15-14-7-3-4-8-16(14)21-17(15)18/h3-4,7-8,13,19H,2,5-6,9-12H2,1H3.
What are the key properties of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-piperidin-1-ylpropan-1-amine?
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-piperidin-1-ylpropan-1-amine has a molecular weight of 306.84 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 82764654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).