1-methyl-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-amine

C13H27N3O2 — CID 134434577

IUPAC1-methyl-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-amine
SMILESCN1CCC(N)(COCCN2CCOCC2)CC1
InChIInChI=1S/C13H27N3O2/c1-15-4-2-13(14,3-5-15)12-18-11-8-16-6-9-17-10-7-16/h2-12,14H2,1H3
InChIKeyCLOBJRHGPCKEGF-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.24
Rot. Bonds5

About 1-methyl-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-amine

1-methyl-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-amine (PubChem CID 134434577) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-methyl-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-amine
PubChem CID134434577
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name1-methyl-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-amine
SMILESCN1CCC(N)(COCCN2CCOCC2)CC1
InChIInChI=1S/C13H27N3O2/c1-15-4-2-13(14,3-5-15)12-18-11-8-16-6-9-17-10-7-16/h2-12,14H2,1H3
InChIKeyCLOBJRHGPCKEGF-UHFFFAOYSA-N
XLogP-0.24
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-amine?
The IUPAC name of 1-methyl-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-amine (CID 134434577) is 1-methyl-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-amine is CN1CCC(N)(COCCN2CCOCC2)CC1.
What is the InChIKey of 1-methyl-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-amine?
The InChIKey is CLOBJRHGPCKEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-15-4-2-13(14,3-5-15)12-18-11-8-16-6-9-17-10-7-16/h2-12,14H2,1H3.
What are the key properties of 1-methyl-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-amine?
1-methyl-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-amine has a molecular weight of 257.38 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-amine is sourced from PubChem (CID 134434577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).