N-[[4-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine

C16H28N4 — CID 114539949

IUPACN-[[4-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(N2CC(C)N(C)C(C)C2)ccn1
InChIInChI=1S/C16H28N4/c1-5-7-17-10-15-9-16(6-8-18-15)20-11-13(2)19(4)14(3)12-20/h6,8-9,13-14,17H,5,7,10-12H2,1-4H3
InChIKeyPAULWYLBGVQPMV-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.11
Rot. Bonds5

About N-[[4-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine

N-[[4-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 114539949) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[4-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID114539949
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[4-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(N2CC(C)N(C)C(C)C2)ccn1
InChIInChI=1S/C16H28N4/c1-5-7-17-10-15-9-16(6-8-18-15)20-11-13(2)19(4)14(3)12-20/h6,8-9,13-14,17H,5,7,10-12H2,1-4H3
InChIKeyPAULWYLBGVQPMV-UHFFFAOYSA-N
XLogP2.11
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.11
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-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114539900
N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62281573
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]propan-1-amine
CID 79945267
N-[[4-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62289577
N-[[4-(2-methylimidazol-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 55059175
N-[[2-methyl-6-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114539964
N-[[4-(3,4-dimethylpiperazin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63621956
N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 63620102
N-[[4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 79184228
N-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907228
2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine
CID 66371985
N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 64745207

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine (CID 114539949) is N-[[4-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(N2CC(C)N(C)C(C)C2)ccn1.
What is the InChIKey of N-[[4-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is PAULWYLBGVQPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-7-17-10-15-9-16(6-8-18-15)20-11-13(2)19(4)14(3)12-20/h6,8-9,13-14,17H,5,7,10-12H2,1-4H3.
What are the key properties of N-[[4-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
N-[[4-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114539949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).