2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine

C15H26N4 — CID 115255405

IUPAC2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine
SMILESCC(CNCCc1cccnc1)CN1CCNCC1
InChIInChI=1S/C15H26N4/c1-14(13-19-9-7-16-8-10-19)11-18-6-4-15-3-2-5-17-12-15/h2-3,5,12,14,16,18H,4,6-11,13H2,1H3
InChIKeyULOPAGGVNMVIAL-UHFFFAOYSA-N
MW262.40 g/mol
LogP0.75
Rot. Bonds7

About 2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine

2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine (PubChem CID 115255405) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine
PubChem CID115255405
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine
SMILESCC(CNCCc1cccnc1)CN1CCNCC1
InChIInChI=1S/C15H26N4/c1-14(13-19-9-7-16-8-10-19)11-18-6-4-15-3-2-5-17-12-15/h2-3,5,12,14,16,18H,4,6-11,13H2,1H3
InChIKeyULOPAGGVNMVIAL-UHFFFAOYSA-N
XLogP0.75
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 50.75
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

2-methyl-3-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 115255406
4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 115240414
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
1-[(2R)-2-pyridin-3-ylpropyl]piperazine
CID 67593511
N-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 115252913
2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 115255363
2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 115255769
N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 54961065
2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 55025768
2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 115239483
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid
CID 64584041

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine (CID 115255405) is 2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine is CC(CNCCc1cccnc1)CN1CCNCC1.
What is the InChIKey of 2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine?
The InChIKey is ULOPAGGVNMVIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-14(13-19-9-7-16-8-10-19)11-18-6-4-15-3-2-5-17-12-15/h2-3,5,12,14,16,18H,4,6-11,13H2,1H3.
What are the key properties of 2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine?
2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine is sourced from PubChem (CID 115255405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).