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

C15H22N4 — CID 107163570

IUPAC4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile
SMILESCN1CCC(C)(CNCc2ccnc(C#N)c2)CC1
InChIInChI=1S/C15H22N4/c1-15(4-7-19(2)8-5-15)12-17-11-13-3-6-18-14(9-13)10-16/h3,6,9,17H,4-5,7-8,11-12H2,1-2H3
InChIKeyHNJWQABTBXRCSI-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.77
Rot. Bonds4

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

4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile (PubChem CID 107163570) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile
PubChem CID107163570
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile
SMILESCN1CCC(C)(CNCc2ccnc(C#N)c2)CC1
InChIInChI=1S/C15H22N4/c1-15(4-7-19(2)8-5-15)12-17-11-13-3-6-18-14(9-13)10-16/h3,6,9,17H,4-5,7-8,11-12H2,1-2H3
InChIKeyHNJWQABTBXRCSI-UHFFFAOYSA-N
XLogP1.77
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.77
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]pyridine-2-carbonitrile?
The IUPAC name of 4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile (CID 107163570) is 4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile is CN1CCC(C)(CNCc2ccnc(C#N)c2)CC1.
What is the InChIKey of 4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is HNJWQABTBXRCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-15(4-7-19(2)8-5-15)12-17-11-13-3-6-18-14(9-13)10-16/h3,6,9,17H,4-5,7-8,11-12H2,1-2H3.
What are the key properties of 4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile?
4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 1.77, 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]pyridine-2-carbonitrile is sourced from PubChem (CID 107163570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).