1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile

C13H23N3O — CID 114621886

IUPAC1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile
SMILESCC1(C)CC(N2CCNCC2C#N)C(C)(C)O1
InChIInChI=1S/C13H23N3O/c1-12(2)7-11(13(3,4)17-12)16-6-5-15-9-10(16)8-14/h10-11,15H,5-7,9H2,1-4H3
InChIKeyAVVIEDVTOLWRSB-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.13
Rot. Bonds1

About 1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile

1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile (PubChem CID 114621886) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile
PubChem CID114621886
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile
SMILESCC1(C)CC(N2CCNCC2C#N)C(C)(C)O1
InChIInChI=1S/C13H23N3O/c1-12(2)7-11(13(3,4)17-12)16-6-5-15-9-10(16)8-14/h10-11,15H,5-7,9H2,1-4H3
InChIKeyAVVIEDVTOLWRSB-UHFFFAOYSA-N
XLogP1.13
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine
CID 104940335
3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine
CID 114624375
4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine
CID 79927218
1-(oxan-3-yl)piperazine-2-carbonitrile
CID 107135453
1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile
CID 79086104
1-(3-methylcyclohexyl)piperazine-2-carbonitrile
CID 79086423
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
CID 79926969
1-(2-methylpropyl)piperazine-2-carbonitrile
CID 79085427
1-(2-oxoazepan-3-yl)piperazine-2-carbonitrile
CID 79085029
methyl 2-cyanopiperazine-1-carboxylate
CID 79091281
1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile
CID 79084934
1-[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]ethanamine
CID 79927087

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile?
The IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile (CID 114621886) is 1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile is CC1(C)CC(N2CCNCC2C#N)C(C)(C)O1.
What is the InChIKey of 1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile?
The InChIKey is AVVIEDVTOLWRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12(2)7-11(13(3,4)17-12)16-6-5-15-9-10(16)8-14/h10-11,15H,5-7,9H2,1-4H3.
What are the key properties of 1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile?
1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile has a molecular weight of 237.35 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile is sourced from PubChem (CID 114621886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).