N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine

C14H24N4 — CID 55054608

IUPACN-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C14H24N4/c1-3-6-15-11-13-4-5-14(16-12-13)18-9-7-17(2)8-10-18/h4-5,12,15H,3,6-11H2,1-2H3
InChIKeyDQHGYUJGUQZVPY-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.33
Rot. Bonds5

About N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine

N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 55054608) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID55054608
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C14H24N4/c1-3-6-15-11-13-4-5-14(16-12-13)18-9-7-17(2)8-10-18/h4-5,12,15H,3,6-11H2,1-2H3
InChIKeyDQHGYUJGUQZVPY-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-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 62286973
2-[4-[5-(propylaminomethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanol
CID 107223707
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 114412489
2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80631242
4-methyl-1-[5-(propylaminomethyl)-2-pyridinyl]azepan-4-ol
CID 107405494
2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228095
1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride
CID 133058572
N-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55059708
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704
2-[4-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 80631144
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453
N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 102884906

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 55054608) is N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is DQHGYUJGUQZVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-6-15-11-13-4-5-14(16-12-13)18-9-7-17(2)8-10-18/h4-5,12,15H,3,6-11H2,1-2H3.
What are the key properties of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(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-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 55054608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).