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

C15H26N4O — CID 114936342

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCOc1ccc(CNCCCN2CCN(C)CC2)cn1
InChIInChI=1S/C15H26N4O/c1-18-8-10-19(11-9-18)7-3-6-16-12-14-4-5-15(20-2)17-13-14/h4-5,13,16H,3,6-12H2,1-2H3
InChIKeyWYKAAJHERPXULR-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.82
Rot. Bonds7

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

N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 114936342) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID114936342
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCOc1ccc(CNCCCN2CCN(C)CC2)cn1
InChIInChI=1S/C15H26N4O/c1-18-8-10-19(11-9-18)7-3-6-16-12-14-4-5-15(20-2)17-13-14/h4-5,13,16H,3,6-12H2,1-2H3
InChIKeyWYKAAJHERPXULR-UHFFFAOYSA-N
XLogP0.82
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine
CID 105006718
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191309
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
CID 83156007
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 28712781
3-(4-methylpiperazin-1-yl)-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899289
1-(1,4-dimethylpiperazin-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 114936760
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 55140934
3-(cyclopropylmethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 114936367
1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one
CID 62990467
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
N-[[4-(difluoromethyl)phenyl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 115523506

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 114936342) is N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine is COc1ccc(CNCCCN2CCN(C)CC2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is WYKAAJHERPXULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-18-8-10-19(11-9-18)7-3-6-16-12-14-4-5-15(20-2)17-13-14/h4-5,13,16H,3,6-12H2,1-2H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 114936342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).