N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine

C16H27N3O — CID 62282809

IUPACN-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1N1CCC(OCC)CC1
InChIInChI=1S/C16H27N3O/c1-3-9-17-13-14-6-5-10-18-16(14)19-11-7-15(8-12-19)20-4-2/h5-6,10,15,17H,3-4,7-9,11-13H2,1-2H3
InChIKeyUQVORJZAAXJOMA-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.59
Rot. Bonds7

About N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine

N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62282809) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62282809
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1N1CCC(OCC)CC1
InChIInChI=1S/C16H27N3O/c1-3-9-17-13-14-6-5-10-18-16(14)19-11-7-15(8-12-19)20-4-2/h5-6,10,15,17H,3-4,7-9,11-13H2,1-2H3
InChIKeyUQVORJZAAXJOMA-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

N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62282985
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453
N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62427122
N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 62776416
N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105389234
N-[[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62287310
N-[[2-(4-propylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62284695
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62294414
N-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 62288582
N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 104692153
N-[[2-(4-methoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62279070
N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 62121726

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 62282809) is N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cccnc1N1CCC(OCC)CC1.
What is the InChIKey of N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is UQVORJZAAXJOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-9-17-13-14-6-5-10-18-16(14)19-11-7-15(8-12-19)20-4-2/h5-6,10,15,17H,3-4,7-9,11-13H2,1-2H3.
What are the key properties of N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
N-[[2-(4-ethoxypiperidin-1-yl)-3-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-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62282809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).