4-[1-(1-tert-butylpiperidin-3-yl)propan-2-yl]morpholine

C16H32N2O — CID 129027899

IUPAC4-[1-(1-tert-butylpiperidin-3-yl)propan-2-yl]morpholine
SMILESCC(CC1CCCN(C(C)(C)C)C1)N1CCOCC1
InChIInChI=1S/C16H32N2O/c1-14(17-8-10-19-11-9-17)12-15-6-5-7-18(13-15)16(2,3)4/h14-15H,5-13H2,1-4H3
InChIKeyIQHQKDZZTBDWLN-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.61
Rot. Bonds3

About 4-[1-(1-tert-butylpiperidin-3-yl)propan-2-yl]morpholine

4-[1-(1-tert-butylpiperidin-3-yl)propan-2-yl]morpholine (PubChem CID 129027899) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-[1-(1-tert-butylpiperidin-3-yl)propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-(1-tert-butylpiperidin-3-yl)propan-2-yl]morpholine
PubChem CID129027899
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-[1-(1-tert-butylpiperidin-3-yl)propan-2-yl]morpholine
SMILESCC(CC1CCCN(C(C)(C)C)C1)N1CCOCC1
InChIInChI=1S/C16H32N2O/c1-14(17-8-10-19-11-9-17)12-15-6-5-7-18(13-15)16(2,3)4/h14-15H,5-13H2,1-4H3
InChIKeyIQHQKDZZTBDWLN-UHFFFAOYSA-N
XLogP2.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-tert-butylpiperidin-3-yl)propan-2-yl]morpholine?
The IUPAC name of 4-[1-(1-tert-butylpiperidin-3-yl)propan-2-yl]morpholine (CID 129027899) is 4-[1-(1-tert-butylpiperidin-3-yl)propan-2-yl]morpholine.
What is the SMILES notation for 4-[1-(1-tert-butylpiperidin-3-yl)propan-2-yl]morpholine?
The canonical SMILES for 4-[1-(1-tert-butylpiperidin-3-yl)propan-2-yl]morpholine is CC(CC1CCCN(C(C)(C)C)C1)N1CCOCC1.
What is the InChIKey of 4-[1-(1-tert-butylpiperidin-3-yl)propan-2-yl]morpholine?
The InChIKey is IQHQKDZZTBDWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(17-8-10-19-11-9-17)12-15-6-5-7-18(13-15)16(2,3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of 4-[1-(1-tert-butylpiperidin-3-yl)propan-2-yl]morpholine?
4-[1-(1-tert-butylpiperidin-3-yl)propan-2-yl]morpholine has a molecular weight of 268.44 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-tert-butylpiperidin-3-yl)propan-2-yl]morpholine is sourced from PubChem (CID 129027899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).