spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride

C12H19Cl2N3 — CID 155165273

IUPACspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride
SMILESCl.Cl.NC1c2cccnc2CC12CCNCC2
InChIInChI=1S/C12H17N3.2ClH/c13-11-9-2-1-5-15-10(9)8-12(11)3-6-14-7-4-12;;/h1-2,5,11,14H,3-4,6-8,13H2;2*1H
InChIKeyMEXYAOMAYUHEQW-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.85
Rot. Bonds

About spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride

spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride (PubChem CID 155165273) has the molecular formula C12H19Cl2N3 and a molecular weight of 276.21 g/mol. Its IUPAC name is spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride.

Molecular Properties

Compound Namespiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride
PubChem CID155165273
Molecular FormulaC12H19Cl2N3
Molecular Weight276.21 g/mol
Exact Mass275.10
IUPAC Namespiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride
SMILESCl.Cl.NC1c2cccnc2CC12CCNCC2
InChIInChI=1S/C12H17N3.2ClH/c13-11-9-2-1-5-15-10(9)8-12(11)3-6-14-7-4-12;;/h1-2,5,11,14H,3-4,6-8,13H2;2*1H
InChIKeyMEXYAOMAYUHEQW-UHFFFAOYSA-N
XLogP1.85
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride?
The IUPAC name of spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride (CID 155165273) is spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride.
What is the SMILES notation for spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride?
The canonical SMILES for spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride is Cl.Cl.NC1c2cccnc2CC12CCNCC2.
What is the InChIKey of spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride?
The InChIKey is MEXYAOMAYUHEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3.2ClH/c13-11-9-2-1-5-15-10(9)8-12(11)3-6-14-7-4-12;;/h1-2,5,11,14H,3-4,6-8,13H2;2*1H.
What are the key properties of spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride?
spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride has a molecular weight of 276.21 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride is sourced from PubChem (CID 155165273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).