4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine

C13H27N3O — CID 82735423

IUPAC4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine
SMILESCCN1CCC(CN)(N(C)C2CCOC2)CC1
InChIInChI=1S/C13H27N3O/c1-3-16-7-5-13(11-14,6-8-16)15(2)12-4-9-17-10-12/h12H,3-11,14H2,1-2H3
InChIKeyGQGBOANYEFSWRH-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.52
Rot. Bonds4

About 4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine

4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine (PubChem CID 82735423) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine
PubChem CID82735423
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine
SMILESCCN1CCC(CN)(N(C)C2CCOC2)CC1
InChIInChI=1S/C13H27N3O/c1-3-16-7-5-13(11-14,6-8-16)15(2)12-4-9-17-10-12/h12H,3-11,14H2,1-2H3
InChIKeyGQGBOANYEFSWRH-UHFFFAOYSA-N
XLogP0.52
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine (CID 82735423) is 4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine is CCN1CCC(CN)(N(C)C2CCOC2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine?
The InChIKey is GQGBOANYEFSWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-16-7-5-13(11-14,6-8-16)15(2)12-4-9-17-10-12/h12H,3-11,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine?
4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine has a molecular weight of 241.38 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 82735423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).