ethane;(3R)-3-methoxy-1-methylpiperidin-4-amine

C9H22N2O — CID 145443384

IUPACethane;(3R)-3-methoxy-1-methylpiperidin-4-amine
SMILESCC.CO[C@@H]1CN(C)CCC1N
InChIInChI=1S/C7H16N2O.C2H6/c1-9-4-3-6(8)7(5-9)10-2;1-2/h6-7H,3-5,8H2,1-2H3;1-2H3/t6?,7-;/m1./s1
InChIKeyLGTYRVJBNOEUFF-SGMQTFONSA-N
MW174.29 g/mol
LogP0.69
Rot. Bonds1

About ethane;(3R)-3-methoxy-1-methylpiperidin-4-amine

ethane;(3R)-3-methoxy-1-methylpiperidin-4-amine (PubChem CID 145443384) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is ethane;(3R)-3-methoxy-1-methylpiperidin-4-amine.

Molecular Properties

Compound Nameethane;(3R)-3-methoxy-1-methylpiperidin-4-amine
PubChem CID145443384
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Nameethane;(3R)-3-methoxy-1-methylpiperidin-4-amine
SMILESCC.CO[C@@H]1CN(C)CCC1N
InChIInChI=1S/C7H16N2O.C2H6/c1-9-4-3-6(8)7(5-9)10-2;1-2/h6-7H,3-5,8H2,1-2H3;1-2H3/t6?,7-;/m1./s1
InChIKeyLGTYRVJBNOEUFF-SGMQTFONSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-methoxy-1-methylpyrrolidin-3-amine;dihydrochloride
CID 112756853
(3S,4S)-3-methoxy-1-methylpiperidin-4-ol
CID 154669394
(4R)-1-methylpiperidine-3,4-diamine
CID 145189555
(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine
CID 134168187
(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane
CID 145443394
4-tert-butyl-3-methoxy-1-methylpiperidine
CID 58394887
(3R,4R)-3,4-dimethoxy-1-methylpyrrolidine
CID 59319954
(3R,4R)-1,3-dimethylpiperidin-4-amine
CID 98186941
1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen
CID 176946053
CID 58530153
CID 58530153
1,3-dimethylpiperidin-4-amine;dihydrochloride
CID 53407082
1,4-dimethylpiperidin-3-amine;ethane
CID 169133952

Frequently Asked Questions

What is the IUPAC name of ethane;(3R)-3-methoxy-1-methylpiperidin-4-amine?
The IUPAC name of ethane;(3R)-3-methoxy-1-methylpiperidin-4-amine (CID 145443384) is ethane;(3R)-3-methoxy-1-methylpiperidin-4-amine.
What is the SMILES notation for ethane;(3R)-3-methoxy-1-methylpiperidin-4-amine?
The canonical SMILES for ethane;(3R)-3-methoxy-1-methylpiperidin-4-amine is CC.CO[C@@H]1CN(C)CCC1N.
What is the InChIKey of ethane;(3R)-3-methoxy-1-methylpiperidin-4-amine?
The InChIKey is LGTYRVJBNOEUFF-SGMQTFONSA-N. The full InChI is InChI=1S/C7H16N2O.C2H6/c1-9-4-3-6(8)7(5-9)10-2;1-2/h6-7H,3-5,8H2,1-2H3;1-2H3/t6?,7-;/m1./s1.
What are the key properties of ethane;(3R)-3-methoxy-1-methylpiperidin-4-amine?
ethane;(3R)-3-methoxy-1-methylpiperidin-4-amine has a molecular weight of 174.29 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3R)-3-methoxy-1-methylpiperidin-4-amine is sourced from PubChem (CID 145443384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).