5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine

C16H28N4O — CID 63992937

IUPAC5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine
SMILESCOc1cccc(CN2CCN(CCCCCN)CC2)n1
InChIInChI=1S/C16H28N4O/c1-21-16-7-5-6-15(18-16)14-20-12-10-19(11-13-20)9-4-2-3-8-17/h5-7H,2-4,8-14,17H2,1H3
InChIKeyCHIRWJAGXXDHTP-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.34
Rot. Bonds8

About 5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine

5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine (PubChem CID 63992937) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine
PubChem CID63992937
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine
SMILESCOc1cccc(CN2CCN(CCCCCN)CC2)n1
InChIInChI=1S/C16H28N4O/c1-21-16-7-5-6-15(18-16)14-20-12-10-19(11-13-20)9-4-2-3-8-17/h5-7H,2-4,8-14,17H2,1H3
InChIKeyCHIRWJAGXXDHTP-UHFFFAOYSA-N
XLogP1.34
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
CID 63992936
4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
CID 79267762
3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79736901
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine
CID 172891684
4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 172891269
1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 63992335
2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile
CID 63984499
4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 172891261
ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 63984544
4-[4-[(2-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]butan-1-amine
CID 104791362
4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine
CID 82866697

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine?
The IUPAC name of 5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine (CID 63992937) is 5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine is COc1cccc(CN2CCN(CCCCCN)CC2)n1.
What is the InChIKey of 5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine?
The InChIKey is CHIRWJAGXXDHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-21-16-7-5-6-15(18-16)14-20-12-10-19(11-13-20)9-4-2-3-8-17/h5-7H,2-4,8-14,17H2,1H3.
What are the key properties of 5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine?
5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 63992937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).