2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-ethylmorpholine

C23H46N2O — CID 126683394

IUPAC2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-ethylmorpholine
SMILESCCN1CCOC(C(C)(C)CCC(C)(C)C2CCC(C(C)(C)C)CN2)C1
InChIInChI=1S/C23H46N2O/c1-9-25-14-15-26-20(17-25)23(7,8)13-12-22(5,6)19-11-10-18(16-24-19)21(2,3)4/h18-20,24H,9-17H2,1-8H3
InChIKeyTYOYSFDGRFOTNY-UHFFFAOYSA-N
MW366.63 g/mol
LogP4.95
Rot. Bonds6

About 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-ethylmorpholine

2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-ethylmorpholine (PubChem CID 126683394) has the molecular formula C23H46N2O and a molecular weight of 366.63 g/mol. Its IUPAC name is 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-ethylmorpholine.

Molecular Properties

Compound Name2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-ethylmorpholine
PubChem CID126683394
Molecular FormulaC23H46N2O
Molecular Weight366.63 g/mol
Exact Mass366.36
IUPAC Name2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-ethylmorpholine
SMILESCCN1CCOC(C(C)(C)CCC(C)(C)C2CCC(C(C)(C)C)CN2)C1
InChIInChI=1S/C23H46N2O/c1-9-25-14-15-26-20(17-25)23(7,8)13-12-22(5,6)19-11-10-18(16-24-19)21(2,3)4/h18-20,24H,9-17H2,1-8H3
InChIKeyTYOYSFDGRFOTNY-UHFFFAOYSA-N
XLogP4.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.63
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-ethylmorpholine?
The IUPAC name of 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-ethylmorpholine (CID 126683394) is 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-ethylmorpholine.
What is the SMILES notation for 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-ethylmorpholine?
The canonical SMILES for 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-ethylmorpholine is CCN1CCOC(C(C)(C)CCC(C)(C)C2CCC(C(C)(C)C)CN2)C1.
What is the InChIKey of 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-ethylmorpholine?
The InChIKey is TYOYSFDGRFOTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O/c1-9-25-14-15-26-20(17-25)23(7,8)13-12-22(5,6)19-11-10-18(16-24-19)21(2,3)4/h18-20,24H,9-17H2,1-8H3.
What are the key properties of 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-ethylmorpholine?
2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-ethylmorpholine has a molecular weight of 366.63 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-ethylmorpholine is sourced from PubChem (CID 126683394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).