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

C16H27N3O — CID 105073711

IUPACN-[[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1N1CCCC(OCC)C1
InChIInChI=1S/C16H27N3O/c1-3-8-17-11-14-7-9-18-12-16(14)19-10-5-6-15(13-19)20-4-2/h7,9,12,15,17H,3-6,8,10-11,13H2,1-2H3
InChIKeyNHEFKWLLPLHINP-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.59
Rot. Bonds7

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

N-[[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105073711) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
PubChem CID105073711
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1N1CCCC(OCC)C1
InChIInChI=1S/C16H27N3O/c1-3-8-17-11-14-7-9-18-12-16(14)19-10-5-6-15(13-19)20-4-2/h7,9,12,15,17H,3-6,8,10-11,13H2,1-2H3
InChIKeyNHEFKWLLPLHINP-UHFFFAOYSA-N
XLogP2.59
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.59
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

1-[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105073708
[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methanol
CID 105066787
N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105073921
N-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247761
N-[[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 81143389
N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 102961556
N-[[6-(3-ethoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62287676
N-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105074117
N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073026
N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 105072608
N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105073924
N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105074044

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine (CID 105073711) is N-[[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccncc1N1CCCC(OCC)C1.
What is the InChIKey of N-[[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is NHEFKWLLPLHINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-8-17-11-14-7-9-18-12-16(14)19-10-5-6-15(13-19)20-4-2/h7,9,12,15,17H,3-6,8,10-11,13H2,1-2H3.
What are the key properties of N-[[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
N-[[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105073711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).