3-[(4R)-3,4-dimethylpiperidin-1-yl]-3-methoxypropanenitrile

C11H20N2O — CID 154694814

IUPAC3-[(4R)-3,4-dimethylpiperidin-1-yl]-3-methoxypropanenitrile
SMILESCOC(CC#N)N1CC[C@@H](C)C(C)C1
InChIInChI=1S/C11H20N2O/c1-9-5-7-13(8-10(9)2)11(14-3)4-6-12/h9-11H,4-5,7-8H2,1-3H3/t9-,10?,11?/m1/s1
InChIKeyXYUSEXBIQYMXSX-KPPDAEKUSA-N
MW196.29 g/mol
LogP1.85
Rot. Bonds3

About 3-[(4R)-3,4-dimethylpiperidin-1-yl]-3-methoxypropanenitrile

3-[(4R)-3,4-dimethylpiperidin-1-yl]-3-methoxypropanenitrile (PubChem CID 154694814) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[(4R)-3,4-dimethylpiperidin-1-yl]-3-methoxypropanenitrile.

Molecular Properties

Compound Name3-[(4R)-3,4-dimethylpiperidin-1-yl]-3-methoxypropanenitrile
PubChem CID154694814
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-[(4R)-3,4-dimethylpiperidin-1-yl]-3-methoxypropanenitrile
SMILESCOC(CC#N)N1CC[C@@H](C)C(C)C1
InChIInChI=1S/C11H20N2O/c1-9-5-7-13(8-10(9)2)11(14-3)4-6-12/h9-11H,4-5,7-8H2,1-3H3/t9-,10?,11?/m1/s1
InChIKeyXYUSEXBIQYMXSX-KPPDAEKUSA-N
XLogP1.85
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-3,4-dimethylpiperidin-1-yl]-3-methoxypropanenitrile?
The IUPAC name of 3-[(4R)-3,4-dimethylpiperidin-1-yl]-3-methoxypropanenitrile (CID 154694814) is 3-[(4R)-3,4-dimethylpiperidin-1-yl]-3-methoxypropanenitrile.
What is the SMILES notation for 3-[(4R)-3,4-dimethylpiperidin-1-yl]-3-methoxypropanenitrile?
The canonical SMILES for 3-[(4R)-3,4-dimethylpiperidin-1-yl]-3-methoxypropanenitrile is COC(CC#N)N1CC[C@@H](C)C(C)C1.
What is the InChIKey of 3-[(4R)-3,4-dimethylpiperidin-1-yl]-3-methoxypropanenitrile?
The InChIKey is XYUSEXBIQYMXSX-KPPDAEKUSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-5-7-13(8-10(9)2)11(14-3)4-6-12/h9-11H,4-5,7-8H2,1-3H3/t9-,10?,11?/m1/s1.
What are the key properties of 3-[(4R)-3,4-dimethylpiperidin-1-yl]-3-methoxypropanenitrile?
3-[(4R)-3,4-dimethylpiperidin-1-yl]-3-methoxypropanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-3,4-dimethylpiperidin-1-yl]-3-methoxypropanenitrile is sourced from PubChem (CID 154694814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).