1-[(2R,5S)-4-(1-tert-butylpiperidin-4-yl)-5-methylmorpholin-2-yl]-N,N-dimethylmethanamine

C17H35N3O — CID 70931693

IUPAC1-[(2R,5S)-4-(1-tert-butylpiperidin-4-yl)-5-methylmorpholin-2-yl]-N,N-dimethylmethanamine
SMILESC[C@H]1CO[C@H](CN(C)C)CN1C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H35N3O/c1-14-13-21-16(11-18(5)6)12-20(14)15-7-9-19(10-8-15)17(2,3)4/h14-16H,7-13H2,1-6H3/t14-,16+/m0/s1
InChIKeyFLMDQOMEYMYFMY-GOEBONIOSA-N
MW297.49 g/mol
LogP1.90
Rot. Bonds3

About 1-[(2R,5S)-4-(1-tert-butylpiperidin-4-yl)-5-methylmorpholin-2-yl]-N,N-dimethylmethanamine

1-[(2R,5S)-4-(1-tert-butylpiperidin-4-yl)-5-methylmorpholin-2-yl]-N,N-dimethylmethanamine (PubChem CID 70931693) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-[(2R,5S)-4-(1-tert-butylpiperidin-4-yl)-5-methylmorpholin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2R,5S)-4-(1-tert-butylpiperidin-4-yl)-5-methylmorpholin-2-yl]-N,N-dimethylmethanamine
PubChem CID70931693
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name1-[(2R,5S)-4-(1-tert-butylpiperidin-4-yl)-5-methylmorpholin-2-yl]-N,N-dimethylmethanamine
SMILESC[C@H]1CO[C@H](CN(C)C)CN1C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H35N3O/c1-14-13-21-16(11-18(5)6)12-20(14)15-7-9-19(10-8-15)17(2,3)4/h14-16H,7-13H2,1-6H3/t14-,16+/m0/s1
InChIKeyFLMDQOMEYMYFMY-GOEBONIOSA-N
XLogP1.90
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-4-(1-tert-butylpiperidin-4-yl)-5-methylmorpholin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2R,5S)-4-(1-tert-butylpiperidin-4-yl)-5-methylmorpholin-2-yl]-N,N-dimethylmethanamine (CID 70931693) is 1-[(2R,5S)-4-(1-tert-butylpiperidin-4-yl)-5-methylmorpholin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2R,5S)-4-(1-tert-butylpiperidin-4-yl)-5-methylmorpholin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2R,5S)-4-(1-tert-butylpiperidin-4-yl)-5-methylmorpholin-2-yl]-N,N-dimethylmethanamine is C[C@H]1CO[C@H](CN(C)C)CN1C1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-[(2R,5S)-4-(1-tert-butylpiperidin-4-yl)-5-methylmorpholin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is FLMDQOMEYMYFMY-GOEBONIOSA-N. The full InChI is InChI=1S/C17H35N3O/c1-14-13-21-16(11-18(5)6)12-20(14)15-7-9-19(10-8-15)17(2,3)4/h14-16H,7-13H2,1-6H3/t14-,16+/m0/s1.
What are the key properties of 1-[(2R,5S)-4-(1-tert-butylpiperidin-4-yl)-5-methylmorpholin-2-yl]-N,N-dimethylmethanamine?
1-[(2R,5S)-4-(1-tert-butylpiperidin-4-yl)-5-methylmorpholin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 297.49 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-4-(1-tert-butylpiperidin-4-yl)-5-methylmorpholin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 70931693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).