6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C16H30N2O2 — CID 102963327

IUPAC6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCOC1CN(CC2(N)C3CCOC3C2(C)C)CCC1C
InChIInChI=1S/C16H30N2O2/c1-11-5-7-18(9-13(11)19-4)10-16(17)12-6-8-20-14(12)15(16,2)3/h11-14H,5-10,17H2,1-4H3
InChIKeyLASWAVXKTCPHRB-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.49
Rot. Bonds3

About 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 102963327) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID102963327
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCOC1CN(CC2(N)C3CCOC3C2(C)C)CCC1C
InChIInChI=1S/C16H30N2O2/c1-11-5-7-18(9-13(11)19-4)10-16(17)12-6-8-20-14(12)15(16,2)3/h11-14H,5-10,17H2,1-4H3
InChIKeyLASWAVXKTCPHRB-UHFFFAOYSA-N
XLogP1.49
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7-Dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948113
7,7-Dimethyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948115
7,7-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864270
7,7-dimethyl-N-(2-morpholin-4-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64869870
7,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872252
6-[(2-Methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 102698586
7,7-Dimethyl-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 102744306
7,7-Dimethyl-6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 102913394
3-Ethoxy-1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 102963538
6-[(3-Methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 102963662
7-[(3-Methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 102963664
N'-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994234

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 102963327) is 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is COC1CN(CC2(N)C3CCOC3C2(C)C)CCC1C.
What is the InChIKey of 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is LASWAVXKTCPHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11-5-7-18(9-13(11)19-4)10-16(17)12-6-8-20-14(12)15(16,2)3/h11-14H,5-10,17H2,1-4H3.
What are the key properties of 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 282.43 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 102963327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).