N-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine

C13H22N4 — CID 116956967

IUPACN-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine
SMILESCNC(CC1CNCCN1C)c1cccnc1
InChIInChI=1S/C13H22N4/c1-14-13(11-4-3-5-15-9-11)8-12-10-16-6-7-17(12)2/h3-5,9,12-14,16H,6-8,10H2,1-2H3
InChIKeyNCCMULHZGHBFAZ-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.64
Rot. Bonds4

About N-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine

N-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine (PubChem CID 116956967) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine
PubChem CID116956967
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine
SMILESCNC(CC1CNCCN1C)c1cccnc1
InChIInChI=1S/C13H22N4/c1-14-13(11-4-3-5-15-9-11)8-12-10-16-6-7-17(12)2/h3-5,9,12-14,16H,6-8,10H2,1-2H3
InChIKeyNCCMULHZGHBFAZ-UHFFFAOYSA-N
XLogP0.64
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine
CID 116956962
1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine
CID 116956943
1-(2-methoxyphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine
CID 116956969
N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine
CID 116951508
N,N-dimethyl-2-(1-methylpiperazin-2-yl)-1-pyridin-4-ylethanamine
CID 116911175
2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine
CID 116901957
N-methyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103986918
3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120957055
3-(methylamino)-3-pyridin-3-ylpropane-1-thiol
CID 116831467
3-(methylamino)-3-pyridin-3-ylpropan-1-ol
CID 64815324
N-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 79724749
3-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83907317

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine?
The IUPAC name of N-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine (CID 116956967) is N-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine?
The canonical SMILES for N-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine is CNC(CC1CNCCN1C)c1cccnc1.
What is the InChIKey of N-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine?
The InChIKey is NCCMULHZGHBFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-14-13(11-4-3-5-15-9-11)8-12-10-16-6-7-17(12)2/h3-5,9,12-14,16H,6-8,10H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine?
N-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine has a molecular weight of 234.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine is sourced from PubChem (CID 116956967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).