5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile

C13H18N4 — CID 115490407

IUPAC5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCC(CCN)CC2)cn1
InChIInChI=1S/C13H18N4/c14-6-3-11-4-7-17(8-5-11)13-2-1-12(9-15)16-10-13/h1-2,10-11H,3-8,14H2
InChIKeyFAWAUCGZRPBNPI-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.52
Rot. Bonds3

About 5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile

5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 115490407) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID115490407
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCC(CCN)CC2)cn1
InChIInChI=1S/C13H18N4/c14-6-3-11-4-7-17(8-5-11)13-2-1-12(9-15)16-10-13/h1-2,10-11H,3-8,14H2
InChIKeyFAWAUCGZRPBNPI-UHFFFAOYSA-N
XLogP1.52
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile (CID 115490407) is 5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1ccc(N2CCC(CCN)CC2)cn1.
What is the InChIKey of 5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is FAWAUCGZRPBNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c14-6-3-11-4-7-17(8-5-11)13-2-1-12(9-15)16-10-13/h1-2,10-11H,3-8,14H2.
What are the key properties of 5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile?
5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 115490407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).