2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine

C16H28N4 — CID 62886075

IUPAC2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(Cc2cccc(CN)c2)CC1
InChIInChI=1S/C16H28N4/c1-18(2)6-7-19-8-10-20(11-9-19)14-16-5-3-4-15(12-16)13-17/h3-5,12H,6-11,13-14,17H2,1-2H3
InChIKeySWTZHJHEPNOCLK-UHFFFAOYSA-N
MW276.43 g/mol
LogP0.82
Rot. Bonds6

About 2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 62886075) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID62886075
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(Cc2cccc(CN)c2)CC1
InChIInChI=1S/C16H28N4/c1-18(2)6-7-19-8-10-20(11-9-19)14-16-5-3-4-15(12-16)13-17/h3-5,12H,6-11,13-14,17H2,1-2H3
InChIKeySWTZHJHEPNOCLK-UHFFFAOYSA-N
XLogP0.82
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 60691696
N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 170866061
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]pyridin-2-amine
CID 62889539
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]pyridine-2-carbothioamide
CID 63883270
[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine
CID 61440746
[3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 39147920
3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889710
5-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-methoxyaniline
CID 62886240
2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 65490706
2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 103998261
2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62889758
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol
CID 107694036

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine (CID 62886075) is 2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN(Cc2cccc(CN)c2)CC1.
What is the InChIKey of 2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is SWTZHJHEPNOCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-18(2)6-7-19-8-10-20(11-9-19)14-16-5-3-4-15(12-16)13-17/h3-5,12H,6-11,13-14,17H2,1-2H3.
What are the key properties of 2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 276.43 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 62886075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).