4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile

C13H24N2O — CID 103994003

IUPAC4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile
SMILESCC1(C#N)CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O/c1-12(2,3)16-10-9-15-7-5-13(4,11-14)6-8-15/h5-10H2,1-4H3
InChIKeyAOCXOJLJRSBXKD-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.43
Rot. Bonds3

About 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile

4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile (PubChem CID 103994003) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile
PubChem CID103994003
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile
SMILESCC1(C#N)CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O/c1-12(2,3)16-10-9-15-7-5-13(4,11-14)6-8-15/h5-10H2,1-4H3
InChIKeyAOCXOJLJRSBXKD-UHFFFAOYSA-N
XLogP2.43
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile
CID 107160799
1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile
CID 103993940
[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine
CID 107160540
9-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,9-diazaspiro[5.5]undecane
CID 176630003
1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile
CID 103993957
2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile
CID 112589445
1-(4-hydroxybutyl)-4-methylpiperidine-4-carbonitrile
CID 103994156
4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile
CID 102672948
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile
CID 10384538
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 59691701
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane
CID 176757500

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile?
The IUPAC name of 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile (CID 103994003) is 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile?
The canonical SMILES for 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile is CC1(C#N)CCN(CCOC(C)(C)C)CC1.
What is the InChIKey of 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile?
The InChIKey is AOCXOJLJRSBXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(2,3)16-10-9-15-7-5-13(4,11-14)6-8-15/h5-10H2,1-4H3.
What are the key properties of 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile?
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile has a molecular weight of 224.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile is sourced from PubChem (CID 103994003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).