(1-ethyl-3-methoxypiperidin-4-yl)methanamine

C9H20N2O — CID 142983498

IUPAC(1-ethyl-3-methoxypiperidin-4-yl)methanamine
SMILESCCN1CCC(CN)C(OC)C1
InChIInChI=1S/C9H20N2O/c1-3-11-5-4-8(6-10)9(7-11)12-2/h8-9H,3-7,10H2,1-2H3
InChIKeyRFJJMJUNERAYSQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.30
Rot. Bonds3

About (1-ethyl-3-methoxypiperidin-4-yl)methanamine

(1-ethyl-3-methoxypiperidin-4-yl)methanamine (PubChem CID 142983498) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (1-ethyl-3-methoxypiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-3-methoxypiperidin-4-yl)methanamine
PubChem CID142983498
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(1-ethyl-3-methoxypiperidin-4-yl)methanamine
SMILESCCN1CCC(CN)C(OC)C1
InChIInChI=1S/C9H20N2O/c1-3-11-5-4-8(6-10)9(7-11)12-2/h8-9H,3-7,10H2,1-2H3
InChIKeyRFJJMJUNERAYSQ-UHFFFAOYSA-N
XLogP0.30
TPSA38.49 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 ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methoxypiperidin-4-yl)methanamine?
The IUPAC name of (1-ethyl-3-methoxypiperidin-4-yl)methanamine (CID 142983498) is (1-ethyl-3-methoxypiperidin-4-yl)methanamine.
What is the SMILES notation for (1-ethyl-3-methoxypiperidin-4-yl)methanamine?
The canonical SMILES for (1-ethyl-3-methoxypiperidin-4-yl)methanamine is CCN1CCC(CN)C(OC)C1.
What is the InChIKey of (1-ethyl-3-methoxypiperidin-4-yl)methanamine?
The InChIKey is RFJJMJUNERAYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-11-5-4-8(6-10)9(7-11)12-2/h8-9H,3-7,10H2,1-2H3.
What are the key properties of (1-ethyl-3-methoxypiperidin-4-yl)methanamine?
(1-ethyl-3-methoxypiperidin-4-yl)methanamine has a molecular weight of 172.27 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methoxypiperidin-4-yl)methanamine is sourced from PubChem (CID 142983498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).