2-(4-methoxypiperidin-1-yl)-N-methylethanamine

C9H20N2O — CID 43373044

IUPAC2-(4-methoxypiperidin-1-yl)-N-methylethanamine
SMILESCNCCN1CCC(OC)CC1
InChIInChI=1S/C9H20N2O/c1-10-5-8-11-6-3-9(12-2)4-7-11/h9-10H,3-8H2,1-2H3
InChIKeyGSBRMBPCCLPJCI-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.32
Rot. Bonds4

About 2-(4-methoxypiperidin-1-yl)-N-methylethanamine

2-(4-methoxypiperidin-1-yl)-N-methylethanamine (PubChem CID 43373044) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)-N-methylethanamine
PubChem CID43373044
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-(4-methoxypiperidin-1-yl)-N-methylethanamine
SMILESCNCCN1CCC(OC)CC1
InChIInChI=1S/C9H20N2O/c1-10-5-8-11-6-3-9(12-2)4-7-11/h9-10H,3-8H2,1-2H3
InChIKeyGSBRMBPCCLPJCI-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)-N-methylethanamine?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)-N-methylethanamine (CID 43373044) is 2-(4-methoxypiperidin-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)-N-methylethanamine is CNCCN1CCC(OC)CC1.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)-N-methylethanamine?
The InChIKey is GSBRMBPCCLPJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-10-5-8-11-6-3-9(12-2)4-7-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(4-methoxypiperidin-1-yl)-N-methylethanamine?
2-(4-methoxypiperidin-1-yl)-N-methylethanamine has a molecular weight of 172.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-1-yl)-N-methylethanamine is sourced from PubChem (CID 43373044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).