4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile

C15H22N4 — CID 79719702

IUPAC4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(C)N(CC1CCNCC1)c1ccnc(C#N)c1
InChIInChI=1S/C15H22N4/c1-12(2)19(11-13-3-6-17-7-4-13)15-5-8-18-14(9-15)10-16/h5,8-9,12-13,17H,3-4,6-7,11H2,1-2H3
InChIKeyJEFFPIQXPRKFLJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.17
Rot. Bonds4

About 4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile

4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 79719702) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile
PubChem CID79719702
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(C)N(CC1CCNCC1)c1ccnc(C#N)c1
InChIInChI=1S/C15H22N4/c1-12(2)19(11-13-3-6-17-7-4-13)15-5-8-18-14(9-15)10-16/h5,8-9,12-13,17H,3-4,6-7,11H2,1-2H3
InChIKeyJEFFPIQXPRKFLJ-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile (CID 79719702) is 4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile is CC(C)N(CC1CCNCC1)c1ccnc(C#N)c1.
What is the InChIKey of 4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is JEFFPIQXPRKFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(2)19(11-13-3-6-17-7-4-13)15-5-8-18-14(9-15)10-16/h5,8-9,12-13,17H,3-4,6-7,11H2,1-2H3.
What are the key properties of 4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile?
4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 79719702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).