N-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine

C12H20N4 — CID 115230160

IUPACN-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine
SMILESc1ccc(CCNCN2CCNCC2)nc1
InChIInChI=1S/C12H20N4/c1-2-5-15-12(3-1)4-6-14-11-16-9-7-13-8-10-16/h1-3,5,13-14H,4,6-11H2
InChIKeyFALIPZXVEWZPPE-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.08
Rot. Bonds5

About N-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine

N-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine (PubChem CID 115230160) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine
PubChem CID115230160
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine
SMILESc1ccc(CCNCN2CCNCC2)nc1
InChIInChI=1S/C12H20N4/c1-2-5-15-12(3-1)4-6-14-11-16-9-7-13-8-10-16/h1-3,5,13-14H,4,6-11H2
InChIKeyFALIPZXVEWZPPE-UHFFFAOYSA-N
XLogP0.08
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-pyridin-2-ylethyl)-1,4-diazepane
CID 8022497
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 60649527
1-(1,4-diazepan-1-yl)-3-pyridin-2-ylpropan-2-one
CID 116565633
2-(3-bromophenyl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230159
2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230156
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360
N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 54945083

Frequently Asked Questions

What is the IUPAC name of N-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine?
The IUPAC name of N-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine (CID 115230160) is N-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine?
The canonical SMILES for N-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine is c1ccc(CCNCN2CCNCC2)nc1.
What is the InChIKey of N-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine?
The InChIKey is FALIPZXVEWZPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-5-15-12(3-1)4-6-14-11-16-9-7-13-8-10-16/h1-3,5,13-14H,4,6-11H2.
What are the key properties of N-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine?
N-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine has a molecular weight of 220.32 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 115230160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).