2-[(1S,2S)-1,2-di(piperidin-1-yl)-2-pyridin-2-ylethyl]pyridine

C22H30N4 — CID 155513551

IUPAC2-[(1S,2S)-1,2-di(piperidin-1-yl)-2-pyridin-2-ylethyl]pyridine
SMILESc1ccc([C@H]([C@@H](c2ccccn2)N2CCCCC2)N2CCCCC2)nc1
InChIInChI=1S/C22H30N4/c1-7-15-25(16-8-1)21(19-11-3-5-13-23-19)22(20-12-4-6-14-24-20)26-17-9-2-10-18-26/h3-6,11-14,21-22H,1-2,7-10,15-18H2/t21-,22-/m1/s1
InChIKeyQLTBRUVLRLFPSE-FGZHOGPDSA-N
MW350.51 g/mol
LogP4.23
Rot. Bonds5

About 2-[(1S,2S)-1,2-di(piperidin-1-yl)-2-pyridin-2-ylethyl]pyridine

2-[(1S,2S)-1,2-di(piperidin-1-yl)-2-pyridin-2-ylethyl]pyridine (PubChem CID 155513551) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-[(1S,2S)-1,2-di(piperidin-1-yl)-2-pyridin-2-ylethyl]pyridine.

Molecular Properties

Compound Name2-[(1S,2S)-1,2-di(piperidin-1-yl)-2-pyridin-2-ylethyl]pyridine
PubChem CID155513551
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name2-[(1S,2S)-1,2-di(piperidin-1-yl)-2-pyridin-2-ylethyl]pyridine
SMILESc1ccc([C@H]([C@@H](c2ccccn2)N2CCCCC2)N2CCCCC2)nc1
InChIInChI=1S/C22H30N4/c1-7-15-25(16-8-1)21(19-11-3-5-13-23-19)22(20-12-4-6-14-24-20)26-17-9-2-10-18-26/h3-6,11-14,21-22H,1-2,7-10,15-18H2/t21-,22-/m1/s1
InChIKeyQLTBRUVLRLFPSE-FGZHOGPDSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1S,2S)-1,2-di(piperidin-1-yl)-2-pyridin-2-ylethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-1,2-di(piperidin-1-yl)-2-pyridin-2-ylethyl]pyridine?
The IUPAC name of 2-[(1S,2S)-1,2-di(piperidin-1-yl)-2-pyridin-2-ylethyl]pyridine (CID 155513551) is 2-[(1S,2S)-1,2-di(piperidin-1-yl)-2-pyridin-2-ylethyl]pyridine.
What is the SMILES notation for 2-[(1S,2S)-1,2-di(piperidin-1-yl)-2-pyridin-2-ylethyl]pyridine?
The canonical SMILES for 2-[(1S,2S)-1,2-di(piperidin-1-yl)-2-pyridin-2-ylethyl]pyridine is c1ccc([C@H]([C@@H](c2ccccn2)N2CCCCC2)N2CCCCC2)nc1.
What is the InChIKey of 2-[(1S,2S)-1,2-di(piperidin-1-yl)-2-pyridin-2-ylethyl]pyridine?
The InChIKey is QLTBRUVLRLFPSE-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H30N4/c1-7-15-25(16-8-1)21(19-11-3-5-13-23-19)22(20-12-4-6-14-24-20)26-17-9-2-10-18-26/h3-6,11-14,21-22H,1-2,7-10,15-18H2/t21-,22-/m1/s1.
What are the key properties of 2-[(1S,2S)-1,2-di(piperidin-1-yl)-2-pyridin-2-ylethyl]pyridine?
2-[(1S,2S)-1,2-di(piperidin-1-yl)-2-pyridin-2-ylethyl]pyridine has a molecular weight of 350.51 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-1,2-di(piperidin-1-yl)-2-pyridin-2-ylethyl]pyridine is sourced from PubChem (CID 155513551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).