1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine

C16H27N3O — CID 107395291

IUPAC1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCCc1cc(CNC)cc(N2CCCC(C)(OC)C2)n1
InChIInChI=1S/C16H27N3O/c1-5-14-9-13(11-17-3)10-15(18-14)19-8-6-7-16(2,12-19)20-4/h9-10,17H,5-8,11-12H2,1-4H3
InChIKeyQXZDTRMQESDFMT-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.37
Rot. Bonds5

About 1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine

1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 107395291) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID107395291
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCCc1cc(CNC)cc(N2CCCC(C)(OC)C2)n1
InChIInChI=1S/C16H27N3O/c1-5-14-9-13(11-17-3)10-15(18-14)19-8-6-7-16(2,12-19)20-4/h9-10,17H,5-8,11-12H2,1-4H3
InChIKeyQXZDTRMQESDFMT-UHFFFAOYSA-N
XLogP2.37
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine (CID 107395291) is 1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine is CCc1cc(CNC)cc(N2CCCC(C)(OC)C2)n1.
What is the InChIKey of 1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is QXZDTRMQESDFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-14-9-13(11-17-3)10-15(18-14)19-8-6-7-16(2,12-19)20-4/h9-10,17H,5-8,11-12H2,1-4H3.
What are the key properties of 1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine?
1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 107395291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).