3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine

C16H23N5 — CID 114719316

IUPAC3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(Cn1cncc1-c1cccnc1N)N1CCCCC1
InChIInChI=1S/C16H23N5/c1-13(20-8-3-2-4-9-20)11-21-12-18-10-15(21)14-6-5-7-19-16(14)17/h5-7,10,12-13H,2-4,8-9,11H2,1H3,(H2,17,19)
InChIKeyHGUJAQWCTIPFSY-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.40
Rot. Bonds4

About 3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine

3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114719316) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114719316
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(Cn1cncc1-c1cccnc1N)N1CCCCC1
InChIInChI=1S/C16H23N5/c1-13(20-8-3-2-4-9-20)11-21-12-18-10-15(21)14-6-5-7-19-16(14)17/h5-7,10,12-13H,2-4,8-9,11H2,1H3,(H2,17,19)
InChIKeyHGUJAQWCTIPFSY-UHFFFAOYSA-N
XLogP2.40
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine (CID 114719316) is 3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine is CC(Cn1cncc1-c1cccnc1N)N1CCCCC1.
What is the InChIKey of 3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is HGUJAQWCTIPFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-13(20-8-3-2-4-9-20)11-21-12-18-10-15(21)14-6-5-7-19-16(14)17/h5-7,10,12-13H,2-4,8-9,11H2,1H3,(H2,17,19).
What are the key properties of 3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine?
3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114719316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).