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

C13H18N4 — CID 63594687

IUPAC4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESCC(N)C1CCN(c2ccnc(C#N)c2)CC1
InChIInChI=1S/C13H18N4/c1-10(15)11-3-6-17(7-4-11)13-2-5-16-12(8-13)9-14/h2,5,8,10-11H,3-4,6-7,15H2,1H3
InChIKeyKDSCUHGHELJUPV-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.52
Rot. Bonds2

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

4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 63594687) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID63594687
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESCC(N)C1CCN(c2ccnc(C#N)c2)CC1
InChIInChI=1S/C13H18N4/c1-10(15)11-3-6-17(7-4-11)13-2-5-16-12(8-13)9-14/h2,5,8,10-11H,3-4,6-7,15H2,1H3
InChIKeyKDSCUHGHELJUPV-UHFFFAOYSA-N
XLogP1.52
TPSA65.94 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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile (CID 63594687) is 4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile is CC(N)C1CCN(c2ccnc(C#N)c2)CC1.
What is the InChIKey of 4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is KDSCUHGHELJUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(15)11-3-6-17(7-4-11)13-2-5-16-12(8-13)9-14/h2,5,8,10-11H,3-4,6-7,15H2,1H3.
What are the key properties of 4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile?
4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 63594687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).