4-[[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]methyl]morpholine

C18H34N2O — CID 129015792

IUPAC4-[[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]methyl]morpholine
SMILESCC1(C)[C@@H](CCN2CCCCC2)C[C@H]1CN1CCOCC1
InChIInChI=1S/C18H34N2O/c1-18(2)16(6-9-19-7-4-3-5-8-19)14-17(18)15-20-10-12-21-13-11-20/h16-17H,3-15H2,1-2H3/t16-,17-/m0/s1
InChIKeyPOTJFFZWYAYFBO-IRXDYDNUSA-N
MW294.48 g/mol
LogP2.86
Rot. Bonds5

About 4-[[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]methyl]morpholine

4-[[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]methyl]morpholine (PubChem CID 129015792) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 4-[[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]methyl]morpholine
PubChem CID129015792
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name4-[[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]methyl]morpholine
SMILESCC1(C)[C@@H](CCN2CCCCC2)C[C@H]1CN1CCOCC1
InChIInChI=1S/C18H34N2O/c1-18(2)16(6-9-19-7-4-3-5-8-19)14-17(18)15-20-10-12-21-13-11-20/h16-17H,3-15H2,1-2H3/t16-,17-/m0/s1
InChIKeyPOTJFFZWYAYFBO-IRXDYDNUSA-N
XLogP2.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]methyl]morpholine?
The IUPAC name of 4-[[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]methyl]morpholine (CID 129015792) is 4-[[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]methyl]morpholine.
What is the SMILES notation for 4-[[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]methyl]morpholine?
The canonical SMILES for 4-[[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]methyl]morpholine is CC1(C)[C@@H](CCN2CCCCC2)C[C@H]1CN1CCOCC1.
What is the InChIKey of 4-[[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]methyl]morpholine?
The InChIKey is POTJFFZWYAYFBO-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H34N2O/c1-18(2)16(6-9-19-7-4-3-5-8-19)14-17(18)15-20-10-12-21-13-11-20/h16-17H,3-15H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of 4-[[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]methyl]morpholine?
4-[[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]methyl]morpholine has a molecular weight of 294.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]methyl]morpholine is sourced from PubChem (CID 129015792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).