N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine

C14H24N4 — CID 62286453

IUPACN-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1N1CCN(C)CC1
InChIInChI=1S/C14H24N4/c1-3-6-15-12-13-5-4-7-16-14(13)18-10-8-17(2)9-11-18/h4-5,7,15H,3,6,8-12H2,1-2H3
InChIKeyKMRAQLYXZKTRFE-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.33
Rot. Bonds5

About N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine

N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62286453) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62286453
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1N1CCN(C)CC1
InChIInChI=1S/C14H24N4/c1-3-6-15-12-13-5-4-7-16-14(13)18-10-8-17(2)9-11-18/h4-5,7,15H,3,6,8-12H2,1-2H3
InChIKeyKMRAQLYXZKTRFE-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
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-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 62776416
N-[[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62287310
N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62282809
N-[[3-fluoro-2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388920
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62278791
N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine
CID 26394420
N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 62279254
N-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 62288582
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62294414
1-[(1S)-cyclohex-3-en-1-yl]-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]methanamine
CID 124568387
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62293470
N-[[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281328

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 62286453) is N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cccnc1N1CCN(C)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is KMRAQLYXZKTRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-6-15-12-13-5-4-7-16-14(13)18-10-8-17(2)9-11-18/h4-5,7,15H,3,6,8-12H2,1-2H3.
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62286453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).