2-[4-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine

C15H26ClN5 — CID 62888188

IUPAC2-[4-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCNCc1nc(N2CCN(CCN(C)C)CC2)ccc1Cl
InChIInChI=1S/C15H26ClN5/c1-17-12-14-13(16)4-5-15(18-14)21-10-8-20(9-11-21)7-6-19(2)3/h4-5,17H,6-12H2,1-3H3
InChIKeySCNKQQJXTDAQNV-UHFFFAOYSA-N
MW311.86 g/mol
LogP1.14
Rot. Bonds6

About 2-[4-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 62888188) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-[4-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID62888188
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC Name2-[4-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCNCc1nc(N2CCN(CCN(C)C)CC2)ccc1Cl
InChIInChI=1S/C15H26ClN5/c1-17-12-14-13(16)4-5-15(18-14)21-10-8-20(9-11-21)7-6-19(2)3/h4-5,17H,6-12H2,1-3H3
InChIKeySCNKQQJXTDAQNV-UHFFFAOYSA-N
XLogP1.14
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 63003835
1-[3-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 63159789
[3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol
CID 61256440
1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
CID 63168757
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 55128004
1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine
CID 106589169
1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 63169284
N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699861
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80825182
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine
CID 80805920
1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine
CID 62297186
1-[3-chloro-6-(2,2,6-trimethylmorpholin-4-yl)-2-pyridinyl]-N-methylmethanamine
CID 62293419

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine (CID 62888188) is 2-[4-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine is CNCc1nc(N2CCN(CCN(C)C)CC2)ccc1Cl.
What is the InChIKey of 2-[4-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is SCNKQQJXTDAQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN5/c1-17-12-14-13(16)4-5-15(18-14)21-10-8-20(9-11-21)7-6-19(2)3/h4-5,17H,6-12H2,1-3H3.
What are the key properties of 2-[4-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 311.86 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 62888188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).