methoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile

C14H28N2O — CID 176666593

IUPACmethoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
SMILESCC(C)C1CCN(CCCC#N)CC1.COC
InChIInChI=1S/C12H22N2.C2H6O/c1-11(2)12-5-9-14(10-6-12)8-4-3-7-13;1-3-2/h11-12H,3-6,8-10H2,1-2H3;1-2H3
InChIKeyVHHZJZNEMLQJRY-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.92
Rot. Bonds4

About methoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile

methoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile (PubChem CID 176666593) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is methoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile.

Molecular Properties

Compound Namemethoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
PubChem CID176666593
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Namemethoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
SMILESCC(C)C1CCN(CCCC#N)CC1.COC
InChIInChI=1S/C12H22N2.C2H6O/c1-11(2)12-5-9-14(10-6-12)8-4-3-7-13;1-3-2/h11-12H,3-6,8-10H2,1-2H3;1-2H3
InChIKeyVHHZJZNEMLQJRY-UHFFFAOYSA-N
XLogP2.92
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-pent-4-ynyl-4-propan-2-ylpiperidine
CID 103878594
3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile
CID 63597136
1-decyl-4-propan-2-ylpiperidine
CID 166461232
4-(4-methylsulfonylpiperidin-1-yl)butanenitrile
CID 142708497
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266
4-(4-propan-2-ylpiperidin-1-yl)butyl hypofluorite
CID 176985714
3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile
CID 142908728
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
1-(6-chlorohexyl)-4-propan-2-ylpiperidine
CID 103501532
5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol
CID 103504387
2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
CID 103925448
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile
CID 110884410

Frequently Asked Questions

What is the IUPAC name of methoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile?
The IUPAC name of methoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile (CID 176666593) is methoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile.
What is the SMILES notation for methoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile?
The canonical SMILES for methoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile is CC(C)C1CCN(CCCC#N)CC1.COC.
What is the InChIKey of methoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile?
The InChIKey is VHHZJZNEMLQJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.C2H6O/c1-11(2)12-5-9-14(10-6-12)8-4-3-7-13;1-3-2/h11-12H,3-6,8-10H2,1-2H3;1-2H3.
What are the key properties of methoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile?
methoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile has a molecular weight of 240.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile is sourced from PubChem (CID 176666593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).