3-[4-(methoxymethyl)piperidin-1-yl]propanenitrile

C10H18N2O — CID 63971330

IUPAC3-[4-(methoxymethyl)piperidin-1-yl]propanenitrile
SMILESCOCC1CCN(CCC#N)CC1
InChIInChI=1S/C10H18N2O/c1-13-9-10-3-7-12(8-4-10)6-2-5-11/h10H,2-4,6-9H2,1H3
InChIKeyCZGGCKDBUMARON-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.26
Rot. Bonds4

About 3-[4-(methoxymethyl)piperidin-1-yl]propanenitrile

3-[4-(methoxymethyl)piperidin-1-yl]propanenitrile (PubChem CID 63971330) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(methoxymethyl)piperidin-1-yl]propanenitrile
PubChem CID63971330
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[4-(methoxymethyl)piperidin-1-yl]propanenitrile
SMILESCOCC1CCN(CCC#N)CC1
InChIInChI=1S/C10H18N2O/c1-13-9-10-3-7-12(8-4-10)6-2-5-11/h10H,2-4,6-9H2,1H3
InChIKeyCZGGCKDBUMARON-UHFFFAOYSA-N
XLogP1.26
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]propanenitrile (CID 63971330) is 3-[4-(methoxymethyl)piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(methoxymethyl)piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(methoxymethyl)piperidin-1-yl]propanenitrile is COCC1CCN(CCC#N)CC1.
What is the InChIKey of 3-[4-(methoxymethyl)piperidin-1-yl]propanenitrile?
The InChIKey is CZGGCKDBUMARON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-13-9-10-3-7-12(8-4-10)6-2-5-11/h10H,2-4,6-9H2,1H3.
What are the key properties of 3-[4-(methoxymethyl)piperidin-1-yl]propanenitrile?
3-[4-(methoxymethyl)piperidin-1-yl]propanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)piperidin-1-yl]propanenitrile is sourced from PubChem (CID 63971330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).