1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile

C8H15N3O — CID 106933588

IUPAC1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile
SMILESC[C@H](O)CN1CCNCC1C#N
InChIInChI=1S/C8H15N3O/c1-7(12)6-11-3-2-10-5-8(11)4-9/h7-8,10,12H,2-3,5-6H2,1H3/t7-,8?/m0/s1
InChIKeyGMZRGIXTCQDXLQ-JAMMHHFISA-N
MW169.23 g/mol
LogP-0.84
Rot. Bonds2

About 1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile

1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile (PubChem CID 106933588) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile
PubChem CID106933588
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile
SMILESC[C@H](O)CN1CCNCC1C#N
InChIInChI=1S/C8H15N3O/c1-7(12)6-11-3-2-10-5-8(11)4-9/h7-8,10,12H,2-3,5-6H2,1H3/t7-,8?/m0/s1
InChIKeyGMZRGIXTCQDXLQ-JAMMHHFISA-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-(2-methylpropyl)piperazine-2-carbonitrile
CID 79085427
1-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-2-carbonitrile
CID 79086114
1-(3-ethoxy-2-hydroxypropyl)piperazine-2-carbonitrile
CID 79085659
2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 79085658
1-(2-hydroxyethyl)piperazine-2-carbonitrile
CID 79085109
1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile
CID 79085872
1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile
CID 79084934
(2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol
CID 98219220
N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide
CID 79085462
1-(1-hydroxypropan-2-yl)piperazine-2-carbonitrile
CID 130503344
1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid
CID 106933551
1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide
CID 106933554

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile (CID 106933588) is 1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile is C[C@H](O)CN1CCNCC1C#N.
What is the InChIKey of 1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile?
The InChIKey is GMZRGIXTCQDXLQ-JAMMHHFISA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(12)6-11-3-2-10-5-8(11)4-9/h7-8,10,12H,2-3,5-6H2,1H3/t7-,8?/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile?
1-[(2S)-2-hydroxypropyl]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-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile is sourced from PubChem (CID 106933588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).