2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile

C17H22N4O — CID 95610800

IUPAC2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
SMILESC[C@@H](O)CN1CCN(Cc2cn3ccccc3c2C#N)CC1
InChIInChI=1S/C17H22N4O/c1-14(22)11-19-6-8-20(9-7-19)12-15-13-21-5-3-2-4-17(21)16(15)10-18/h2-5,13-14,22H,6-9,11-12H2,1H3/t14-/m1/s1
InChIKeyKMQLLKHSOKKOBL-CQSZACIVSA-N
MW298.39 g/mol
LogP1.31
Rot. Bonds4

About 2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile

2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile (PubChem CID 95610800) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
PubChem CID95610800
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
SMILESC[C@@H](O)CN1CCN(Cc2cn3ccccc3c2C#N)CC1
InChIInChI=1S/C17H22N4O/c1-14(22)11-19-6-8-20(9-7-19)12-15-13-21-5-3-2-4-17(21)16(15)10-18/h2-5,13-14,22H,6-9,11-12H2,1H3/t14-/m1/s1
InChIKeyKMQLLKHSOKKOBL-CQSZACIVSA-N
XLogP1.31
TPSA54.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 98763904
2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 134045205
2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 17489935
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 18133538
2-[(4-formylpiperidin-1-yl)methyl]indolizine-1-carbonitrile
CID 62653943
2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]benzonitrile
CID 95344633
2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile
CID 79867743
2-[[4-(4-chlorobenzoyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 24674723
2-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 17472695
ethyl 1-[(1-cyanoindolizin-2-yl)methyl]piperidine-4-carboxylate
CID 51322364
2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]indolizine-1-carbonitrile
CID 111107834
2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 16582156

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile (CID 95610800) is 2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile is C[C@@H](O)CN1CCN(Cc2cn3ccccc3c2C#N)CC1.
What is the InChIKey of 2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile?
The InChIKey is KMQLLKHSOKKOBL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14(22)11-19-6-8-20(9-7-19)12-15-13-21-5-3-2-4-17(21)16(15)10-18/h2-5,13-14,22H,6-9,11-12H2,1H3/t14-/m1/s1.
What are the key properties of 2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile?
2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile has a molecular weight of 298.39 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 95610800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).