N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine

C15H25N3O — CID 114515582

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCOc1ncccc1CNCCC1CCN(C)CC1
InChIInChI=1S/C15H25N3O/c1-18-10-6-13(7-11-18)5-9-16-12-14-4-3-8-17-15(14)19-2/h3-4,8,13,16H,5-7,9-12H2,1-2H3
InChIKeySSUUAEDNZWZTJT-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.91
Rot. Bonds6

About N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine

N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 114515582) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
PubChem CID114515582
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCOc1ncccc1CNCCC1CCN(C)CC1
InChIInChI=1S/C15H25N3O/c1-18-10-6-13(7-11-18)5-9-16-12-14-4-3-8-17-15(14)19-2/h3-4,8,13,16H,5-7,9-12H2,1-2H3
InChIKeySSUUAEDNZWZTJT-UHFFFAOYSA-N
XLogP1.91
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.91
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-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515268
N-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 62288582
2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115615049
2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60858022
2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
CID 115611231
N-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 106205338
N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 21271684
methyl 3-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]propanoate
CID 22678299
2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide
CID 114384819
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide
CID 62627188
N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine
CID 63491513

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine (CID 114515582) is N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine is COc1ncccc1CNCCC1CCN(C)CC1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is SSUUAEDNZWZTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-18-10-6-13(7-11-18)5-9-16-12-14-4-3-8-17-15(14)19-2/h3-4,8,13,16H,5-7,9-12H2,1-2H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 114515582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).