(3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine

C14H28N2O — CID 118531607

IUPAC(3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine
SMILESC[C@@H]1COCCN1C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-12-11-17-10-9-16(12)13-5-7-15(8-6-13)14(2,3)4/h12-13H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyQLKCNZUXBRGFEL-GFCCVEGCSA-N
MW240.39 g/mol
LogP1.97
Rot. Bonds1

About (3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine

(3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine (PubChem CID 118531607) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine
PubChem CID118531607
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine
SMILESC[C@@H]1COCCN1C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-12-11-17-10-9-16(12)13-5-7-15(8-6-13)14(2,3)4/h12-13H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyQLKCNZUXBRGFEL-GFCCVEGCSA-N
XLogP1.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclobutyl-3-methylmorpholine
CID 131084475
4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine
CID 176629966
4-(3-bicyclo[3.1.0]hexanyl)-3-methylmorpholine
CID 144865906
(3R)-3-methyl-4-piperidin-3-ylmorpholine
CID 130978960
4-(1-tert-butylpyrrolidin-3-yl)morpholine
CID 58364982
1-tert-butyl-4-(oxolan-3-yl)piperazine
CID 118531588
4-(3-methylmorpholin-4-yl)oxolan-2-one
CID 131085919
6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine
CID 156794987
4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine
CID 126823553
2-(3-methylmorpholin-4-yl)cyclooctan-1-amine
CID 43542065
4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-amine
CID 159962975
1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one
CID 135298818

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine?
The IUPAC name of (3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine (CID 118531607) is (3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine.
What is the SMILES notation for (3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine?
The canonical SMILES for (3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine is C[C@@H]1COCCN1C1CCN(C(C)(C)C)CC1.
What is the InChIKey of (3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine?
The InChIKey is QLKCNZUXBRGFEL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-11-17-10-9-16(12)13-5-7-15(8-6-13)14(2,3)4/h12-13H,5-11H2,1-4H3/t12-/m1/s1.
What are the key properties of (3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine?
(3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine has a molecular weight of 240.39 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine is sourced from PubChem (CID 118531607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).