N-ethyl-3-methoxy-1-methylpiperidin-4-amine

C9H20N2O — CID 178010452

IUPACN-ethyl-3-methoxy-1-methylpiperidin-4-amine
SMILESCCNC1CCN(C)CC1OC
InChIInChI=1S/C9H20N2O/c1-4-10-8-5-6-11(2)7-9(8)12-3/h8-10H,4-7H2,1-3H3
InChIKeyABKHSDKDRDDELO-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.31
Rot. Bonds3

About N-ethyl-3-methoxy-1-methylpiperidin-4-amine

N-ethyl-3-methoxy-1-methylpiperidin-4-amine (PubChem CID 178010452) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-ethyl-3-methoxy-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-1-methylpiperidin-4-amine
PubChem CID178010452
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-ethyl-3-methoxy-1-methylpiperidin-4-amine
SMILESCCNC1CCN(C)CC1OC
InChIInChI=1S/C9H20N2O/c1-4-10-8-5-6-11(2)7-9(8)12-3/h8-10H,4-7H2,1-3H3
InChIKeyABKHSDKDRDDELO-UHFFFAOYSA-N
XLogP0.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-1-methylpiperidin-4-amine?
The IUPAC name of N-ethyl-3-methoxy-1-methylpiperidin-4-amine (CID 178010452) is N-ethyl-3-methoxy-1-methylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-3-methoxy-1-methylpiperidin-4-amine?
The canonical SMILES for N-ethyl-3-methoxy-1-methylpiperidin-4-amine is CCNC1CCN(C)CC1OC.
What is the InChIKey of N-ethyl-3-methoxy-1-methylpiperidin-4-amine?
The InChIKey is ABKHSDKDRDDELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-10-8-5-6-11(2)7-9(8)12-3/h8-10H,4-7H2,1-3H3.
What are the key properties of N-ethyl-3-methoxy-1-methylpiperidin-4-amine?
N-ethyl-3-methoxy-1-methylpiperidin-4-amine has a molecular weight of 172.27 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-1-methylpiperidin-4-amine is sourced from PubChem (CID 178010452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).