2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine

C14H23N3O — CID 80628704

IUPAC2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
SMILESCOCCNCc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C14H23N3O/c1-18-10-7-15-11-13-5-6-14(16-12-13)17-8-3-2-4-9-17/h5-6,12,15H,2-4,7-11H2,1H3
InChIKeyYEPVHXQPASQXPN-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds6

About 2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine

2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine (PubChem CID 80628704) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
PubChem CID80628704
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
SMILESCOCCNCc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C14H23N3O/c1-18-10-7-15-11-13-5-6-14(16-12-13)17-8-3-2-4-9-17/h5-6,12,15H,2-4,7-11H2,1H3
InChIKeyYEPVHXQPASQXPN-UHFFFAOYSA-N
XLogP1.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
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

2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80631242
2-[4-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 80631144
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670459
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 80631598
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 115560699
2-methoxy-N-[[6-(2-methylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80635743
N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80637880
N-[[6-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636085
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
[1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol
CID 80629858
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110973167
N-[(3,5-dimethoxyphenyl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine;hydrochloride
CID 47030650

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine (CID 80628704) is 2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine is COCCNCc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine?
The InChIKey is YEPVHXQPASQXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-18-10-7-15-11-13-5-6-14(16-12-13)17-8-3-2-4-9-17/h5-6,12,15H,2-4,7-11H2,1H3.
What are the key properties of 2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine?
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine has a molecular weight of 249.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 80628704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).