5-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]pyridine-2-carbonitrile

C14H20N4O — CID 124625066

IUPAC5-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]pyridine-2-carbonitrile
SMILESC[C@@H]1CN(C[C@@H](C)O)CCN1c1ccc(C#N)nc1
InChIInChI=1S/C14H20N4O/c1-11-9-17(10-12(2)19)5-6-18(11)14-4-3-13(7-15)16-8-14/h3-4,8,11-12,19H,5-6,9-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyJUVPDIBJWQAPGL-VXGBXAGGSA-N
MW260.34 g/mol
LogP0.84
Rot. Bonds3

About 5-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]pyridine-2-carbonitrile

5-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 124625066) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]pyridine-2-carbonitrile
PubChem CID124625066
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]pyridine-2-carbonitrile
SMILESC[C@@H]1CN(C[C@@H](C)O)CCN1c1ccc(C#N)nc1
InChIInChI=1S/C14H20N4O/c1-11-9-17(10-12(2)19)5-6-18(11)14-4-3-13(7-15)16-8-14/h3-4,8,11-12,19H,5-6,9-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyJUVPDIBJWQAPGL-VXGBXAGGSA-N
XLogP0.84
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]pyridine-2-carbonitrile (CID 124625066) is 5-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]pyridine-2-carbonitrile is C[C@@H]1CN(C[C@@H](C)O)CCN1c1ccc(C#N)nc1.
What is the InChIKey of 5-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is JUVPDIBJWQAPGL-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-9-17(10-12(2)19)5-6-18(11)14-4-3-13(7-15)16-8-14/h3-4,8,11-12,19H,5-6,9-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of 5-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]pyridine-2-carbonitrile?
5-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 124625066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).