2-[bis(2-hydroxyethyl)amino]-4-methyl-6-piperidin-1-ylpyridine-3-carbonitrile

C16H24N4O2 — CID 53371194

IUPAC2-[bis(2-hydroxyethyl)amino]-4-methyl-6-piperidin-1-ylpyridine-3-carbonitrile
SMILESCc1cc(N2CCCCC2)nc(N(CCO)CCO)c1C#N
InChIInChI=1S/C16H24N4O2/c1-13-11-15(19-5-3-2-4-6-19)18-16(14(13)12-17)20(7-9-21)8-10-22/h11,21-22H,2-10H2,1H3
InChIKeyCJXURBWBLRGJGV-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.04
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]-4-methyl-6-piperidin-1-ylpyridine-3-carbonitrile

2-[bis(2-hydroxyethyl)amino]-4-methyl-6-piperidin-1-ylpyridine-3-carbonitrile (PubChem CID 53371194) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-4-methyl-6-piperidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-4-methyl-6-piperidin-1-ylpyridine-3-carbonitrile
PubChem CID53371194
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-[bis(2-hydroxyethyl)amino]-4-methyl-6-piperidin-1-ylpyridine-3-carbonitrile
SMILESCc1cc(N2CCCCC2)nc(N(CCO)CCO)c1C#N
InChIInChI=1S/C16H24N4O2/c1-13-11-15(19-5-3-2-4-6-19)18-16(14(13)12-17)20(7-9-21)8-10-22/h11,21-22H,2-10H2,1H3
InChIKeyCJXURBWBLRGJGV-UHFFFAOYSA-N
XLogP1.04
TPSA83.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-4-methyl-6-piperidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-4-methyl-6-piperidin-1-ylpyridine-3-carbonitrile (CID 53371194) is 2-[bis(2-hydroxyethyl)amino]-4-methyl-6-piperidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-4-methyl-6-piperidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-4-methyl-6-piperidin-1-ylpyridine-3-carbonitrile is Cc1cc(N2CCCCC2)nc(N(CCO)CCO)c1C#N.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-4-methyl-6-piperidin-1-ylpyridine-3-carbonitrile?
The InChIKey is CJXURBWBLRGJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-13-11-15(19-5-3-2-4-6-19)18-16(14(13)12-17)20(7-9-21)8-10-22/h11,21-22H,2-10H2,1H3.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-4-methyl-6-piperidin-1-ylpyridine-3-carbonitrile?
2-[bis(2-hydroxyethyl)amino]-4-methyl-6-piperidin-1-ylpyridine-3-carbonitrile has a molecular weight of 304.39 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-4-methyl-6-piperidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 53371194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).