1-(1-hydroxypropan-2-yl)piperazine-2-carbonitrile

C8H15N3O — CID 130503344

IUPAC1-(1-hydroxypropan-2-yl)piperazine-2-carbonitrile
SMILESCC(CO)N1CCNCC1C#N
InChIInChI=1S/C8H15N3O/c1-7(6-12)11-3-2-10-5-8(11)4-9/h7-8,10,12H,2-3,5-6H2,1H3
InChIKeyDNWSASQJLFVWJM-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.84
Rot. Bonds2

About 1-(1-hydroxypropan-2-yl)piperazine-2-carbonitrile

1-(1-hydroxypropan-2-yl)piperazine-2-carbonitrile (PubChem CID 130503344) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)piperazine-2-carbonitrile
PubChem CID130503344
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(1-hydroxypropan-2-yl)piperazine-2-carbonitrile
SMILESCC(CO)N1CCNCC1C#N
InChIInChI=1S/C8H15N3O/c1-7(6-12)11-3-2-10-5-8(11)4-9/h7-8,10,12H,2-3,5-6H2,1H3
InChIKeyDNWSASQJLFVWJM-UHFFFAOYSA-N
XLogP-0.84
TPSA59.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile
CID 106933588
N-butyl-2-(2-cyanopiperazin-1-yl)propanamide
CID 79086227
1-(2-methylpropyl)piperazine-2-carbonitrile
CID 79085427
1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile
CID 79085884
1-(2-hydroxyethyl)piperazine-2-carbonitrile
CID 79085109
2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 79085658
2-[(2R)-2-methylpiperazin-1-yl]propanenitrile
CID 82755717
1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile
CID 79084934
(2S)-1-benzhydrylpiperazine-2-carbonitrile;dihydrochloride
CID 178079938
1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile
CID 79085872
1-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-2-carbonitrile
CID 79086114
1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile
CID 82892035

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)piperazine-2-carbonitrile?
The IUPAC name of 1-(1-hydroxypropan-2-yl)piperazine-2-carbonitrile (CID 130503344) is 1-(1-hydroxypropan-2-yl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)piperazine-2-carbonitrile is CC(CO)N1CCNCC1C#N.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)piperazine-2-carbonitrile?
The InChIKey is DNWSASQJLFVWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(6-12)11-3-2-10-5-8(11)4-9/h7-8,10,12H,2-3,5-6H2,1H3.
What are the key properties of 1-(1-hydroxypropan-2-yl)piperazine-2-carbonitrile?
1-(1-hydroxypropan-2-yl)piperazine-2-carbonitrile has a molecular weight of 169.23 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)piperazine-2-carbonitrile is sourced from PubChem (CID 130503344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).