2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine

C17H28N4 — CID 103998261

IUPAC2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(Cc2ccc3c(c2)CNC3)CC1
InChIInChI=1S/C17H28N4/c1-19(2)5-6-20-7-9-21(10-8-20)14-15-3-4-16-12-18-13-17(16)11-15/h3-4,11,18H,5-10,12-14H2,1-2H3
InChIKeyUECFEYLEYITFJB-UHFFFAOYSA-N
MW288.44 g/mol
LogP0.97
Rot. Bonds5

About 2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine

2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 103998261) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID103998261
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(Cc2ccc3c(c2)CNC3)CC1
InChIInChI=1S/C17H28N4/c1-19(2)5-6-20-7-9-21(10-8-20)14-15-3-4-16-12-18-13-17(16)11-15/h3-4,11,18H,5-10,12-14H2,1-2H3
InChIKeyUECFEYLEYITFJB-UHFFFAOYSA-N
XLogP0.97
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103997998
CID 159268606
CID 159268606
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol
CID 107694036
2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 65490706
2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62886075
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 60691696
8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane
CID 103998282
5-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-methoxyaniline
CID 62886240
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]pyridin-2-amine
CID 62889539
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103534857
5-[(4-tert-butylazepan-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103998331
N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 170866061

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine (CID 103998261) is 2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN(Cc2ccc3c(c2)CNC3)CC1.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is UECFEYLEYITFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-19(2)5-6-20-7-9-21(10-8-20)14-15-3-4-16-12-18-13-17(16)11-15/h3-4,11,18H,5-10,12-14H2,1-2H3.
What are the key properties of 2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 288.44 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 103998261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).