N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine

C13H22N4 — CID 54945083

IUPACN-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
SMILESCN(CCN1CCNCC1)Cc1ccccn1
InChIInChI=1S/C13H22N4/c1-16(12-13-4-2-3-5-15-13)10-11-17-8-6-14-7-9-17/h2-5,14H,6-12H2,1H3
InChIKeyNXBHYNLYXKZCOI-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.42
Rot. Bonds5

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

N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 54945083) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID54945083
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
SMILESCN(CCN1CCNCC1)Cc1ccccn1
InChIInChI=1S/C13H22N4/c1-16(12-13-4-2-3-5-15-13)10-11-17-8-6-14-7-9-17/h2-5,14H,6-12H2,1H3
InChIKeyNXBHYNLYXKZCOI-UHFFFAOYSA-N
XLogP0.42
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085672
N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63986317
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 63265435
N-methyl-2-piperazin-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66410620
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
1-(2-pyridin-2-ylethyl)-1,4-diazepane
CID 8022497
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-2-amine
CID 115230516
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 54983695
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine (CID 54945083) is N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine is CN(CCN1CCNCC1)Cc1ccccn1.
What is the InChIKey of N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is NXBHYNLYXKZCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16(12-13-4-2-3-5-15-13)10-11-17-8-6-14-7-9-17/h2-5,14H,6-12H2,1H3.
What are the key properties of N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine?
N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 234.35 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 54945083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).