2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile

C14H20N4 — CID 54986436

IUPAC2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile
SMILESCN(C)CC1CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C14H20N4/c1-17(2)11-12-4-7-18(8-5-12)14-9-13(10-15)3-6-16-14/h3,6,9,12H,4-5,7-8,11H2,1-2H3
InChIKeyKNZFDBLZTCHHTB-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.73
Rot. Bonds3

About 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile

2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 54986436) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID54986436
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile
SMILESCN(C)CC1CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C14H20N4/c1-17(2)11-12-4-7-18(8-5-12)14-9-13(10-15)3-6-16-14/h3,6,9,12H,4-5,7-8,11H2,1-2H3
InChIKeyKNZFDBLZTCHHTB-UHFFFAOYSA-N
XLogP1.73
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile (CID 54986436) is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile is CN(C)CC1CCN(c2cc(C#N)ccn2)CC1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is KNZFDBLZTCHHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-17(2)11-12-4-7-18(8-5-12)14-9-13(10-15)3-6-16-14/h3,6,9,12H,4-5,7-8,11H2,1-2H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile?
2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 54986436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).