1-N-ethyl-5-methoxy-3-N-methylpiperidine-1,3-diamine

C9H21N3O — CID 20705170

IUPAC1-N-ethyl-5-methoxy-3-N-methylpiperidine-1,3-diamine
SMILESCCNN1CC(NC)CC(OC)C1
InChIInChI=1S/C9H21N3O/c1-4-11-12-6-8(10-2)5-9(7-12)13-3/h8-11H,4-7H2,1-3H3
InChIKeyQOBLWZFSCWKIPC-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.18
Rot. Bonds4

About 1-N-ethyl-5-methoxy-3-N-methylpiperidine-1,3-diamine

1-N-ethyl-5-methoxy-3-N-methylpiperidine-1,3-diamine (PubChem CID 20705170) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-N-ethyl-5-methoxy-3-N-methylpiperidine-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-5-methoxy-3-N-methylpiperidine-1,3-diamine
PubChem CID20705170
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name1-N-ethyl-5-methoxy-3-N-methylpiperidine-1,3-diamine
SMILESCCNN1CC(NC)CC(OC)C1
InChIInChI=1S/C9H21N3O/c1-4-11-12-6-8(10-2)5-9(7-12)13-3/h8-11H,4-7H2,1-3H3
InChIKeyQOBLWZFSCWKIPC-UHFFFAOYSA-N
XLogP-0.18
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-5-methoxy-3-N-methylpiperidine-1,3-diamine?
The IUPAC name of 1-N-ethyl-5-methoxy-3-N-methylpiperidine-1,3-diamine (CID 20705170) is 1-N-ethyl-5-methoxy-3-N-methylpiperidine-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-5-methoxy-3-N-methylpiperidine-1,3-diamine?
The canonical SMILES for 1-N-ethyl-5-methoxy-3-N-methylpiperidine-1,3-diamine is CCNN1CC(NC)CC(OC)C1.
What is the InChIKey of 1-N-ethyl-5-methoxy-3-N-methylpiperidine-1,3-diamine?
The InChIKey is QOBLWZFSCWKIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-4-11-12-6-8(10-2)5-9(7-12)13-3/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-N-ethyl-5-methoxy-3-N-methylpiperidine-1,3-diamine?
1-N-ethyl-5-methoxy-3-N-methylpiperidine-1,3-diamine has a molecular weight of 187.29 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-5-methoxy-3-N-methylpiperidine-1,3-diamine is sourced from PubChem (CID 20705170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).