1'-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride

C14H21Cl2N3 — CID 22291226

IUPAC1'-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride
SMILESCl.Cl.c1cncc(N2CCC3(CC4CCN3C4)C2)c1
InChIInChI=1S/C14H19N3.2ClH/c1-2-13(9-15-5-1)16-7-4-14(11-16)8-12-3-6-17(14)10-12;;/h1-2,5,9,12H,3-4,6-8,10-11H2;2*1H
InChIKeyRWTHRRULMOUKIP-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.60
Rot. Bonds1

About 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride

1'-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride (PubChem CID 22291226) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride.

Molecular Properties

Compound Name1'-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride
PubChem CID22291226
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC Name1'-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride
SMILESCl.Cl.c1cncc(N2CCC3(CC4CCN3C4)C2)c1
InChIInChI=1S/C14H19N3.2ClH/c1-2-13(9-15-5-1)16-7-4-14(11-16)8-12-3-6-17(14)10-12;;/h1-2,5,9,12H,3-4,6-8,10-11H2;2*1H
InChIKeyRWTHRRULMOUKIP-UHFFFAOYSA-N
XLogP2.60
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride?
The IUPAC name of 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride (CID 22291226) is 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride.
What is the SMILES notation for 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride?
The canonical SMILES for 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride is Cl.Cl.c1cncc(N2CCC3(CC4CCN3C4)C2)c1.
What is the InChIKey of 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride?
The InChIKey is RWTHRRULMOUKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.2ClH/c1-2-13(9-15-5-1)16-7-4-14(11-16)8-12-3-6-17(14)10-12;;/h1-2,5,9,12H,3-4,6-8,10-11H2;2*1H.
What are the key properties of 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride?
1'-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride has a molecular weight of 302.25 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride is sourced from PubChem (CID 22291226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).