6-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile

C15H22N4O — CID 95599847

IUPAC6-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC[C@@H]1CN(c2ccc(C#N)cn2)CCN1C[C@@H](C)O
InChIInChI=1S/C15H22N4O/c1-3-14-11-19(7-6-18(14)10-12(2)20)15-5-4-13(8-16)9-17-15/h4-5,9,12,14,20H,3,6-7,10-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyFCBIDSUTQZEPRF-TZMCWYRMSA-N
MW274.37 g/mol
LogP1.23
Rot. Bonds4

About 6-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 95599847) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID95599847
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name6-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC[C@@H]1CN(c2ccc(C#N)cn2)CCN1C[C@@H](C)O
InChIInChI=1S/C15H22N4O/c1-3-14-11-19(7-6-18(14)10-12(2)20)15-5-4-13(8-16)9-17-15/h4-5,9,12,14,20H,3,6-7,10-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyFCBIDSUTQZEPRF-TZMCWYRMSA-N
XLogP1.23
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 100838375
6-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 124868275
6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile
CID 133435807
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
(2S)-1-[(2S)-2-ethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol
CID 98767156
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-(4-benzyl-3-ethyl-5-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile
CID 56880544
(2S)-1-[(2R)-2-ethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 98774925
(2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
CID 175401707
(2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol
CID 95764162
2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681902
6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile
CID 115315787

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 95599847) is 6-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile is CC[C@@H]1CN(c2ccc(C#N)cn2)CCN1C[C@@H](C)O.
What is the InChIKey of 6-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is FCBIDSUTQZEPRF-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-14-11-19(7-6-18(14)10-12(2)20)15-5-4-13(8-16)9-17-15/h4-5,9,12,14,20H,3,6-7,10-11H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of 6-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 274.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 95599847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).