2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile

C18H26N4O — CID 56900507

IUPAC2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCN(C3CCCC3)C(CCO)C2)n1
InChIInChI=1S/C18H26N4O/c1-14-6-7-15(12-19)18(20-14)21-9-10-22(16-4-2-3-5-16)17(13-21)8-11-23/h6-7,16-17,23H,2-5,8-11,13H2,1H3
InChIKeyDGNQVUWHANPUPE-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.08
Rot. Bonds4

About 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile

2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile (PubChem CID 56900507) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile
PubChem CID56900507
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCN(C3CCCC3)C(CCO)C2)n1
InChIInChI=1S/C18H26N4O/c1-14-6-7-15(12-19)18(20-14)21-9-10-22(16-4-2-3-5-16)17(13-21)8-11-23/h6-7,16-17,23H,2-5,8-11,13H2,1H3
InChIKeyDGNQVUWHANPUPE-UHFFFAOYSA-N
XLogP2.08
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile (CID 56900507) is 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CCN(C3CCCC3)C(CCO)C2)n1.
What is the InChIKey of 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile?
The InChIKey is DGNQVUWHANPUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14-6-7-15(12-19)18(20-14)21-9-10-22(16-4-2-3-5-16)17(13-21)8-11-23/h6-7,16-17,23H,2-5,8-11,13H2,1H3.
What are the key properties of 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile?
2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile has a molecular weight of 314.43 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 56900507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).