N-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine

C16H27N3O — CID 102961607

IUPACN-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCCC(OC)C2)c(C)c1
InChIInChI=1S/C16H27N3O/c1-4-7-17-10-14-9-13(2)16(18-11-14)19-8-5-6-15(12-19)20-3/h9,11,15,17H,4-8,10,12H2,1-3H3
InChIKeyQECVPMBLFWZRJB-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.50
Rot. Bonds6

About N-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine

N-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 102961607) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID102961607
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCCC(OC)C2)c(C)c1
InChIInChI=1S/C16H27N3O/c1-4-7-17-10-14-9-13(2)16(18-11-14)19-8-5-6-15(12-19)20-3/h9,11,15,17H,4-8,10,12H2,1-3H3
InChIKeyQECVPMBLFWZRJB-UHFFFAOYSA-N
XLogP2.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine (CID 102961607) is N-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(N2CCCC(OC)C2)c(C)c1.
What is the InChIKey of N-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is QECVPMBLFWZRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-7-17-10-14-9-13(2)16(18-11-14)19-8-5-6-15(12-19)20-3/h9,11,15,17H,4-8,10,12H2,1-3H3.
What are the key properties of N-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 102961607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).