2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile

C14H27N3O — CID 112589445

IUPAC2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile
SMILESCC(C)(C)OCCN1CCN(C(C)(C)C#N)CC1
InChIInChI=1S/C14H27N3O/c1-13(2,3)18-11-10-16-6-8-17(9-7-16)14(4,5)12-15/h6-11H2,1-5H3
InChIKeyQFQZMSCMMVWOSI-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.72
Rot. Bonds4

About 2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile

2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile (PubChem CID 112589445) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile
PubChem CID112589445
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile
SMILESCC(C)(C)OCCN1CCN(C(C)(C)C#N)CC1
InChIInChI=1S/C14H27N3O/c1-13(2,3)18-11-10-16-6-8-17(9-7-16)14(4,5)12-15/h6-11H2,1-5H3
InChIKeyQFQZMSCMMVWOSI-UHFFFAOYSA-N
XLogP1.72
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(4-pent-3-ynylpiperazin-1-yl)propanenitrile
CID 104807701
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile
CID 103994003
2-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]propanenitrile
CID 63340060
2-methyl-2-[4-(3-methylbutyl)piperazin-1-yl]-4-[(2-methylpropan-2-yl)oxy]butanenitrile
CID 139471491
1-tert-butyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine
CID 135167668
1-tert-butyl-4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine
CID 171446821
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 59691701
1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 135279301
2-iodo-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine
CID 146332058
2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine
CID 112588403
9-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,9-diazaspiro[5.5]undecane
CID 176630003

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile (CID 112589445) is 2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile is CC(C)(C)OCCN1CCN(C(C)(C)C#N)CC1.
What is the InChIKey of 2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile?
The InChIKey is QFQZMSCMMVWOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-13(2,3)18-11-10-16-6-8-17(9-7-16)14(4,5)12-15/h6-11H2,1-5H3.
What are the key properties of 2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile?
2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile has a molecular weight of 253.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile is sourced from PubChem (CID 112589445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).