4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile

C16H26N4 — CID 103992003

IUPAC4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(CNCC2(C)CCN(C)CC2)cc(C#N)n1C
InChIInChI=1S/C16H26N4/c1-13-14(9-15(10-17)20(13)4)11-18-12-16(2)5-7-19(3)8-6-16/h9,18H,5-8,11-12H2,1-4H3
InChIKeySVWUCCJLLUIQLR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.03
Rot. Bonds4

About 4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile

4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile (PubChem CID 103992003) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
PubChem CID103992003
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(CNCC2(C)CCN(C)CC2)cc(C#N)n1C
InChIInChI=1S/C16H26N4/c1-13-14(9-15(10-17)20(13)4)11-18-12-16(2)5-7-19(3)8-6-16/h9,18H,5-8,11-12H2,1-4H3
InChIKeySVWUCCJLLUIQLR-UHFFFAOYSA-N
XLogP2.03
TPSA43.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The IUPAC name of 4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile (CID 103992003) is 4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile is Cc1c(CNCC2(C)CCN(C)CC2)cc(C#N)n1C.
What is the InChIKey of 4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The InChIKey is SVWUCCJLLUIQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13-14(9-15(10-17)20(13)4)11-18-12-16(2)5-7-19(3)8-6-16/h9,18H,5-8,11-12H2,1-4H3.
What are the key properties of 4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile has a molecular weight of 274.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile is sourced from PubChem (CID 103992003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).