2-(2,2,6,6-tetramethyl-1-prop-2-ynylpiperidin-4-yl)oxypropanenitrile

C15H24N2O — CID 18358632

IUPAC2-(2,2,6,6-tetramethyl-1-prop-2-ynylpiperidin-4-yl)oxypropanenitrile
SMILESC#CCN1C(C)(C)CC(OC(C)C#N)CC1(C)C
InChIInChI=1S/C15H24N2O/c1-7-8-17-14(3,4)9-13(10-15(17,5)6)18-12(2)11-16/h1,12-13H,8-10H2,2-6H3
InChIKeyBHSSBJLRPYJKNO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.57
Rot. Bonds3

About 2-(2,2,6,6-tetramethyl-1-prop-2-ynylpiperidin-4-yl)oxypropanenitrile

2-(2,2,6,6-tetramethyl-1-prop-2-ynylpiperidin-4-yl)oxypropanenitrile (PubChem CID 18358632) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethyl-1-prop-2-ynylpiperidin-4-yl)oxypropanenitrile.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethyl-1-prop-2-ynylpiperidin-4-yl)oxypropanenitrile
PubChem CID18358632
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(2,2,6,6-tetramethyl-1-prop-2-ynylpiperidin-4-yl)oxypropanenitrile
SMILESC#CCN1C(C)(C)CC(OC(C)C#N)CC1(C)C
InChIInChI=1S/C15H24N2O/c1-7-8-17-14(3,4)9-13(10-15(17,5)6)18-12(2)11-16/h1,12-13H,8-10H2,2-6H3
InChIKeyBHSSBJLRPYJKNO-UHFFFAOYSA-N
XLogP2.57
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pemerid
CID 3039330
4-Ethoxy-2,2,6,6-tetramethyl-1-prop-2-ynylpiperidine
CID 20492237
3-[4-(2-Cyanoethoxy)-2,2,6,6-tetramethylpiperidin-1-yl]propanenitrile
CID 20492280
4-(2'-Cyanoethoxy) 1,2,2,6,6-pentamethylpiperidine
CID 20492358
3-(4-Methoxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-methylpropanenitrile
CID 20492371
2,2,6,6-Tetramethyl-4-prop-2-ynoxy-1-prop-2-ynylpiperidine
CID 20492394
3-(2,2,6,6-Tetramethyl-1-prop-2-ynylpiperidin-4-yl)oxypropanenitrile
CID 53933963
(1,2,2,6,6-Pentamethylpiperidin-4-yl) cyanate
CID 59745286
4-Ethoxy-1-ethyl-2,2,6,6-tetramethylpiperidine
CID 137419991
1-Ethyl-2,2,6,6-tetramethyl-4-propan-2-yloxypiperidine
CID 137420254
3-(2,2,6,6-Tetramethyl-1-prop-1-ynylpiperidin-4-yl)oxypropanenitrile
CID 141524783
2-(1,2,2,6,6-Pentamethylpiperidin-4-yl)oxypropanenitrile
CID 145798572

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethyl-1-prop-2-ynylpiperidin-4-yl)oxypropanenitrile?
The IUPAC name of 2-(2,2,6,6-tetramethyl-1-prop-2-ynylpiperidin-4-yl)oxypropanenitrile (CID 18358632) is 2-(2,2,6,6-tetramethyl-1-prop-2-ynylpiperidin-4-yl)oxypropanenitrile.
What is the SMILES notation for 2-(2,2,6,6-tetramethyl-1-prop-2-ynylpiperidin-4-yl)oxypropanenitrile?
The canonical SMILES for 2-(2,2,6,6-tetramethyl-1-prop-2-ynylpiperidin-4-yl)oxypropanenitrile is C#CCN1C(C)(C)CC(OC(C)C#N)CC1(C)C.
What is the InChIKey of 2-(2,2,6,6-tetramethyl-1-prop-2-ynylpiperidin-4-yl)oxypropanenitrile?
The InChIKey is BHSSBJLRPYJKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-7-8-17-14(3,4)9-13(10-15(17,5)6)18-12(2)11-16/h1,12-13H,8-10H2,2-6H3.
What are the key properties of 2-(2,2,6,6-tetramethyl-1-prop-2-ynylpiperidin-4-yl)oxypropanenitrile?
2-(2,2,6,6-tetramethyl-1-prop-2-ynylpiperidin-4-yl)oxypropanenitrile has a molecular weight of 248.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethyl-1-prop-2-ynylpiperidin-4-yl)oxypropanenitrile is sourced from PubChem (CID 18358632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).