N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine

C14H24N4 — CID 115239656

IUPACN-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCN(CCC1CNCCN1C)Cc1ccncc1
InChIInChI=1S/C14H24N4/c1-17(12-13-3-6-15-7-4-13)9-5-14-11-16-8-10-18(14)2/h3-4,6-7,14,16H,5,8-12H2,1-2H3
InChIKeyMCLKCRLIZYKZDZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.81
Rot. Bonds5

About N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine

N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 115239656) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID115239656
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCN(CCC1CNCCN1C)Cc1ccncc1
InChIInChI=1S/C14H24N4/c1-17(12-13-3-6-15-7-4-13)9-5-14-11-16-8-10-18(14)2/h3-4,6-7,14,16H,5,8-12H2,1-2H3
InChIKeyMCLKCRLIZYKZDZ-UHFFFAOYSA-N
XLogP0.81
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 115178427
N-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 115239646
N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238410
N-[2-(1-methylpiperazin-2-yl)ethyl]pyridin-4-amine
CID 115239546
N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 115240401
N,2-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]propan-1-amine
CID 115239559
N,N-dimethyl-2-(1-methylpiperazin-2-yl)-1-pyridin-4-ylethanamine
CID 116911175
N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine
CID 115239639
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238418
(2S)-2-(2-fluoroethyl)-1-methylpiperazine
CID 124660399
2-propyl-1-(pyridin-4-ylmethyl)piperazine
CID 64832934

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine (CID 115239656) is N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine is CN(CCC1CNCCN1C)Cc1ccncc1.
What is the InChIKey of N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is MCLKCRLIZYKZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-17(12-13-3-6-15-7-4-13)9-5-14-11-16-8-10-18(14)2/h3-4,6-7,14,16H,5,8-12H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 115239656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).