3-[(2,2-dimethylpiperazin-1-yl)methyl]pyridine-2-carbonitrile

C13H18N4 — CID 65462403

IUPAC3-[(2,2-dimethylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCC1(C)CNCCN1Cc1cccnc1C#N
InChIInChI=1S/C13H18N4/c1-13(2)10-15-6-7-17(13)9-11-4-3-5-16-12(11)8-14/h3-5,15H,6-7,9-10H2,1-2H3
InChIKeySDJKSWKHAAAPHZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.14
Rot. Bonds2

About 3-[(2,2-dimethylpiperazin-1-yl)methyl]pyridine-2-carbonitrile

3-[(2,2-dimethylpiperazin-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 65462403) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(2,2-dimethylpiperazin-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2,2-dimethylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID65462403
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-[(2,2-dimethylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCC1(C)CNCCN1Cc1cccnc1C#N
InChIInChI=1S/C13H18N4/c1-13(2)10-15-6-7-17(13)9-11-4-3-5-16-12(11)8-14/h3-5,15H,6-7,9-10H2,1-2H3
InChIKeySDJKSWKHAAAPHZ-UHFFFAOYSA-N
XLogP1.14
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(2,2-dimethylpiperazin-1-yl)methyl]pyridine-2-carbonitrile (CID 65462403) is 3-[(2,2-dimethylpiperazin-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(2,2-dimethylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(2,2-dimethylpiperazin-1-yl)methyl]pyridine-2-carbonitrile is CC1(C)CNCCN1Cc1cccnc1C#N.
What is the InChIKey of 3-[(2,2-dimethylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is SDJKSWKHAAAPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-13(2)10-15-6-7-17(13)9-11-4-3-5-16-12(11)8-14/h3-5,15H,6-7,9-10H2,1-2H3.
What are the key properties of 3-[(2,2-dimethylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
3-[(2,2-dimethylpiperazin-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylpiperazin-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 65462403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).