1-(oxan-3-yl)piperazine-2-carbonitrile

C10H17N3O — CID 107135453

IUPAC1-(oxan-3-yl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C1CCCOC1
InChIInChI=1S/C10H17N3O/c11-6-10-7-12-3-4-13(10)9-2-1-5-14-8-9/h9-10,12H,1-5,7-8H2
InChIKeyJRNZYZQJWYSCRN-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.04
Rot. Bonds1

About 1-(oxan-3-yl)piperazine-2-carbonitrile

1-(oxan-3-yl)piperazine-2-carbonitrile (PubChem CID 107135453) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(oxan-3-yl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(oxan-3-yl)piperazine-2-carbonitrile
PubChem CID107135453
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(oxan-3-yl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C1CCCOC1
InChIInChI=1S/C10H17N3O/c11-6-10-7-12-3-4-13(10)9-2-1-5-14-8-9/h9-10,12H,1-5,7-8H2
InChIKeyJRNZYZQJWYSCRN-UHFFFAOYSA-N
XLogP-0.04
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-1-(oxan-3-yl)piperazine
CID 104973743
1-(3-methylcyclohexyl)piperazine-2-carbonitrile
CID 79086423
1-(2-oxoazepan-3-yl)piperazine-2-carbonitrile
CID 79085029
1-(oxan-4-ylmethyl)piperazine-2-carbonitrile
CID 79085955
1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile
CID 79086104
3-methyl-1-(oxan-3-yl)-1,5-diazocane
CID 63361265
1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile
CID 114621886
2,2-dimethyl-1-(oxan-3-yl)piperazine
CID 65460906
1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile
CID 79085997
2,5-dimethyl-1-(oxan-3-yl)piperazine
CID 64937625
(3R)-3-methyl-4-piperidin-3-ylmorpholine
CID 130978960
1-[3-(oxan-2-yl)propanoyl]piperazine-2-carbonitrile
CID 79085472

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)piperazine-2-carbonitrile?
The IUPAC name of 1-(oxan-3-yl)piperazine-2-carbonitrile (CID 107135453) is 1-(oxan-3-yl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(oxan-3-yl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(oxan-3-yl)piperazine-2-carbonitrile is N#CC1CNCCN1C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)piperazine-2-carbonitrile?
The InChIKey is JRNZYZQJWYSCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-6-10-7-12-3-4-13(10)9-2-1-5-14-8-9/h9-10,12H,1-5,7-8H2.
What are the key properties of 1-(oxan-3-yl)piperazine-2-carbonitrile?
1-(oxan-3-yl)piperazine-2-carbonitrile has a molecular weight of 195.27 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)piperazine-2-carbonitrile is sourced from PubChem (CID 107135453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).