4-pyrrolidin-1-yl-6-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-dihydropyridine

C14H23N3 — CID 143192099

IUPAC4-pyrrolidin-1-yl-6-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-dihydropyridine
SMILESC1=C(C[C@@H]2CCCN2)NCC=C1N1CCCC1
InChIInChI=1S/C14H23N3/c1-2-9-17(8-1)14-5-7-16-13(11-14)10-12-4-3-6-15-12/h5,11-12,15-16H,1-4,6-10H2/t12-/m0/s1
InChIKeyAGPHFUVAJHXDDF-LBPRGKRZSA-N
MW233.36 g/mol
LogP1.60
Rot. Bonds3

About 4-pyrrolidin-1-yl-6-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-dihydropyridine

4-pyrrolidin-1-yl-6-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-dihydropyridine (PubChem CID 143192099) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-6-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-6-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-dihydropyridine
PubChem CID143192099
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-pyrrolidin-1-yl-6-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-dihydropyridine
SMILESC1=C(C[C@@H]2CCCN2)NCC=C1N1CCCC1
InChIInChI=1S/C14H23N3/c1-2-9-17(8-1)14-5-7-16-13(11-14)10-12-4-3-6-15-12/h5,11-12,15-16H,1-4,6-10H2/t12-/m0/s1
InChIKeyAGPHFUVAJHXDDF-LBPRGKRZSA-N
XLogP1.60
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-6-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-dihydropyridine?
The IUPAC name of 4-pyrrolidin-1-yl-6-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-dihydropyridine (CID 143192099) is 4-pyrrolidin-1-yl-6-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-dihydropyridine.
What is the SMILES notation for 4-pyrrolidin-1-yl-6-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-dihydropyridine?
The canonical SMILES for 4-pyrrolidin-1-yl-6-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-dihydropyridine is C1=C(C[C@@H]2CCCN2)NCC=C1N1CCCC1.
What is the InChIKey of 4-pyrrolidin-1-yl-6-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-dihydropyridine?
The InChIKey is AGPHFUVAJHXDDF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-9-17(8-1)14-5-7-16-13(11-14)10-12-4-3-6-15-12/h5,11-12,15-16H,1-4,6-10H2/t12-/m0/s1.
What are the key properties of 4-pyrrolidin-1-yl-6-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-dihydropyridine?
4-pyrrolidin-1-yl-6-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-dihydropyridine has a molecular weight of 233.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-6-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-dihydropyridine is sourced from PubChem (CID 143192099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).