3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine

C15H31N3O — CID 81458873

IUPAC3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine
SMILESCCC1CN(CC2CN(C(C)C)CCO2)CCC1N
InChIInChI=1S/C15H31N3O/c1-4-13-9-17(6-5-15(13)16)10-14-11-18(12(2)3)7-8-19-14/h12-15H,4-11,16H2,1-3H3
InChIKeyXTGONLNTZUDRBZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.15
Rot. Bonds4

About 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine

3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine (PubChem CID 81458873) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine
PubChem CID81458873
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine
SMILESCCC1CN(CC2CN(C(C)C)CCO2)CCC1N
InChIInChI=1S/C15H31N3O/c1-4-13-9-17(6-5-15(13)16)10-14-11-18(12(2)3)7-8-19-14/h12-15H,4-11,16H2,1-3H3
InChIKeyXTGONLNTZUDRBZ-UHFFFAOYSA-N
XLogP1.15
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine (CID 81458873) is 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine is CCC1CN(CC2CN(C(C)C)CCO2)CCC1N.
What is the InChIKey of 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine?
The InChIKey is XTGONLNTZUDRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-13-9-17(6-5-15(13)16)10-14-11-18(12(2)3)7-8-19-14/h12-15H,4-11,16H2,1-3H3.
What are the key properties of 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine?
3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine has a molecular weight of 269.43 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 81458873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).