2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine

C14H24N4 — CID 115255769

IUPAC2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine
SMILESCC(CNCCc1ccncc1)N1CCNCC1
InChIInChI=1S/C14H24N4/c1-13(18-10-8-16-9-11-18)12-17-7-4-14-2-5-15-6-3-14/h2-3,5-6,13,16-17H,4,7-12H2,1H3
InChIKeyVMBKZAKXHMYCBB-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.51
Rot. Bonds6

About 2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine

2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine (PubChem CID 115255769) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine
PubChem CID115255769
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine
SMILESCC(CNCCc1ccncc1)N1CCNCC1
InChIInChI=1S/C14H24N4/c1-13(18-10-8-16-9-11-18)12-17-7-4-14-2-5-15-6-3-14/h2-3,5-6,13,16-17H,4,7-12H2,1H3
InChIKeyVMBKZAKXHMYCBB-UHFFFAOYSA-N
XLogP0.51
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.51
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

N-[2-(4-methylphenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255755
2-methyl-3-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 115255406
N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255765
N-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255770
N-[2-(5-bromothiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255758
N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255779
N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 57374009
3-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]butan-1-amine
CID 115255519
2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine
CID 60902535
2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 115255405
N-(2-piperazin-1-ylpropyl)thiophen-2-amine
CID 115255603
N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 91346922

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine?
The IUPAC name of 2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine (CID 115255769) is 2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine.
What is the SMILES notation for 2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine?
The canonical SMILES for 2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine is CC(CNCCc1ccncc1)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine?
The InChIKey is VMBKZAKXHMYCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-13(18-10-8-16-9-11-18)12-17-7-4-14-2-5-15-6-3-14/h2-3,5-6,13,16-17H,4,7-12H2,1H3.
What are the key properties of 2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine?
2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine is sourced from PubChem (CID 115255769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).