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

C12H17N5 — CID 107552500

IUPAC2-[2-(1-aminoethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
SMILESCC(N)C1CCCCN1c1nccc(C#N)n1
InChIInChI=1S/C12H17N5/c1-9(14)11-4-2-3-7-17(11)12-15-6-5-10(8-13)16-12/h5-6,9,11H,2-4,7,14H2,1H3
InChIKeyMGMFXQNQGXOZHE-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.05
Rot. Bonds2

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

2-[2-(1-aminoethyl)piperidin-1-yl]pyrimidine-4-carbonitrile (PubChem CID 107552500) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)piperidin-1-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
PubChem CID107552500
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-[2-(1-aminoethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
SMILESCC(N)C1CCCCN1c1nccc(C#N)n1
InChIInChI=1S/C12H17N5/c1-9(14)11-4-2-3-7-17(11)12-15-6-5-10(8-13)16-12/h5-6,9,11H,2-4,7,14H2,1H3
InChIKeyMGMFXQNQGXOZHE-UHFFFAOYSA-N
XLogP1.05
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]pyrimidine-4-carbonitrile (CID 107552500) is 2-[2-(1-aminoethyl)piperidin-1-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[2-(1-aminoethyl)piperidin-1-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[2-(1-aminoethyl)piperidin-1-yl]pyrimidine-4-carbonitrile is CC(N)C1CCCCN1c1nccc(C#N)n1.
What is the InChIKey of 2-[2-(1-aminoethyl)piperidin-1-yl]pyrimidine-4-carbonitrile?
The InChIKey is MGMFXQNQGXOZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9(14)11-4-2-3-7-17(11)12-15-6-5-10(8-13)16-12/h5-6,9,11H,2-4,7,14H2,1H3.
What are the key properties of 2-[2-(1-aminoethyl)piperidin-1-yl]pyrimidine-4-carbonitrile?
2-[2-(1-aminoethyl)piperidin-1-yl]pyrimidine-4-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)piperidin-1-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107552500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).