(2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile

C16H29N3O2 — CID 97216352

IUPAC(2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile
SMILESCC(C)[C@H](C#N)N1CCN(CCOC[C@@H]2CCCO2)CC1
InChIInChI=1S/C16H29N3O2/c1-14(2)16(12-17)19-7-5-18(6-8-19)9-11-20-13-15-4-3-10-21-15/h14-16H,3-11,13H2,1-2H3/t15-,16-/m0/s1
InChIKeyVDXUDKALSXYPAL-HOTGVXAUSA-N
MW295.43 g/mol
LogP1.35
Rot. Bonds7

About (2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile

(2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile (PubChem CID 97216352) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name(2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile
PubChem CID97216352
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile
SMILESCC(C)[C@H](C#N)N1CCN(CCOC[C@@H]2CCCO2)CC1
InChIInChI=1S/C16H29N3O2/c1-14(2)16(12-17)19-7-5-18(6-8-19)9-11-20-13-15-4-3-10-21-15/h14-16H,3-11,13H2,1-2H3/t15-,16-/m0/s1
InChIKeyVDXUDKALSXYPAL-HOTGVXAUSA-N
XLogP1.35
TPSA48.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile 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

10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane
CID 14910693
N-[2-(oxolan-2-ylmethoxy)ethyl]butan-2-amine
CID 62572646
(2S)-1-[4-[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 124823947
2,2-dimethyl-6-(oxolan-2-ylmethoxy)hexanenitrile
CID 106710387
1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine
CID 94532597
1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]ethoxy]propan-2-ol
CID 54459416
1-(2-methoxyethyl)-4-[[(2S)-oxan-2-yl]methyl]piperazine
CID 94532596
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
(1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol
CID 99105595
2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
CID 7219875
3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile
CID 96926614
2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine
CID 43205736

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile?
The IUPAC name of (2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile (CID 97216352) is (2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile.
What is the SMILES notation for (2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile?
The canonical SMILES for (2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile is CC(C)[C@H](C#N)N1CCN(CCOC[C@@H]2CCCO2)CC1.
What is the InChIKey of (2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile?
The InChIKey is VDXUDKALSXYPAL-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-14(2)16(12-17)19-7-5-18(6-8-19)9-11-20-13-15-4-3-10-21-15/h14-16H,3-11,13H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of (2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile?
(2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile has a molecular weight of 295.43 g/mol, XLogP of 1.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile is sourced from PubChem (CID 97216352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).