2-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;azepane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane;2,6-diazaspiro[3.3]heptane;2,7-diazaspiro[3.5]nonane;2,7-diazaspiro[3.4]octane;1,4-diazepane;piperazine;bis(piperidine);pyrrolidine

C78H162N20 — CID 167634965

About 2-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;azepane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane;2,6-diazaspiro[3.3]heptane;2,7-diazaspiro[3.5]nonane;2,7-diazaspiro[3.4]octane;1,4-diazepane;piperazine;bis(piperidine);pyrrolidine

2-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;azepane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane;2,6-diazaspiro[3.3]heptane;2,7-diazaspiro[3.5]nonane;2,7-diazaspiro[3.4]octane;1,4-diazepane;piperazine;bis(piperidine);pyrrolidine (PubChem CID 167634965) has the molecular formula C78H162N20 and a molecular weight of 1380.29 g/mol. Its IUPAC name is 2-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;azepane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane;2,6-diazaspiro[3.3]heptane;2,7-diazaspiro[3.5]nonane;2,7-diazaspiro[3.4]octane;1,4-diazepane;piperazine;bis(piperidine);pyrrolidine.

Molecular Properties

• Compound Name: 2-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;azepane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane;2,6-diazaspiro[3.3]heptane;2,7-diazaspiro[3.5]nonane;2,7-diazaspiro[3.4]octane;1,4-diazepane;piperazine;bis(piperidine);pyrrolidine
• PubChem CID: 167634965
• Molecular Formula: C78H162N20
• Molecular Weight: 1380.29 g/mol
• Exact Mass: 1379.33
• IUPAC Name: 2-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;azepane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane;2,6-diazaspiro[3.3]heptane;2,7-diazaspiro[3.5]nonane;2,7-diazaspiro[3.4]octane;1,4-diazepane;piperazine;bis(piperidine);pyrrolidine
• SMILES: C1CC2(CCN1)CCNC2.C1CC2(CCN1)CNC2.C1CC2(CN1)CNC2.C1CCC2(C1)CNC2.C1CCC2(CC1)CNC2.C1CCCNCC1.C1CCNC1.C1CCNCC1.C1CCNCC1.C1CNC2(C1)CCNCC2.C1CNCCN1.C1CNCCNC1.C1NCC12CNC2
• InChI: InChI=1S/2C8H16N2.C8H15N.C7H14N2.C7H13N.C6H12N2.C6H13N.C5H10N2.C5H12N2.2C5H11N.C4H10N2.C4H9N/c1-4-9-5-2-8(1)3-6-10-7-8;1-2-8(10-5-1)3-6-9-7-4-8;1-2-4-8(5-3-1)6-9-7-8;1-3-8-4-2-7(1)5-9-6-7;1-2-4-7(3-1)5-8-6-7;1-2-7-3-6(1)4-8-5-6;1-2-4-6-7-5-3-1;1-5(2-6-1)3-7-4-5;1-2-6-4-5-7-3-1;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1/h2*9-10H,1-7H2;9H,1-7H2;8-9H,1-6H2;8H,1-6H2;7-8H,1-5H2;7H,1-6H2;6-7H,1-4H2;6-7H,1-5H2;2*6H,1-5H2;5-6H,1-4H2;5H,1-4H2
• InChIKey: OIONEAJAGQRKMC-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 240.60 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 20
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1380.29
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;azepane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane;2,6-diazaspiro[3.3]heptane;2,7-diazaspiro[3.5]nonane;2,7-diazaspiro[3.4]octane;1,4-diazepane;piperazine;bis(piperidine);pyrrolidine?

The IUPAC name of 2-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;azepane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane;2,6-diazaspiro[3.3]heptane;2,7-diazaspiro[3.5]nonane;2,7-diazaspiro[3.4]octane;1,4-diazepane;piperazine;bis(piperidine);pyrrolidine (CID 167634965) is 2-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;azepane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane;2,6-diazaspiro[3.3]heptane;2,7-diazaspiro[3.5]nonane;2,7-diazaspiro[3.4]octane;1,4-diazepane;piperazine;bis(piperidine);pyrrolidine.

What is the SMILES notation for 2-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;azepane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane;2,6-diazaspiro[3.3]heptane;2,7-diazaspiro[3.5]nonane;2,7-diazaspiro[3.4]octane;1,4-diazepane;piperazine;bis(piperidine);pyrrolidine?

The canonical SMILES for 2-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;azepane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane;2,6-diazaspiro[3.3]heptane;2,7-diazaspiro[3.5]nonane;2,7-diazaspiro[3.4]octane;1,4-diazepane;piperazine;bis(piperidine);pyrrolidine is C1CC2(CCN1)CCNC2.C1CC2(CCN1)CNC2.C1CC2(CN1)CNC2.C1CCC2(C1)CNC2.C1CCC2(CC1)CNC2.C1CCCNCC1.C1CCNC1.C1CCNCC1.C1CCNCC1.C1CNC2(C1)CCNCC2.C1CNCCN1.C1CNCCNC1.C1NCC12CNC2.

What is the InChIKey of 2-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;azepane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane;2,6-diazaspiro[3.3]heptane;2,7-diazaspiro[3.5]nonane;2,7-diazaspiro[3.4]octane;1,4-diazepane;piperazine;bis(piperidine);pyrrolidine?

The InChIKey is OIONEAJAGQRKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16N2.C8H15N.C7H14N2.C7H13N.C6H12N2.C6H13N.C5H10N2.C5H12N2.2C5H11N.C4H10N2.C4H9N/c1-4-9-5-2-8(1)3-6-10-7-8;1-2-8(10-5-1)3-6-9-7-4-8;1-2-4-8(5-3-1)6-9-7-8;1-3-8-4-2-7(1)5-9-6-7;1-2-4-7(3-1)5-8-6-7;1-2-7-3-6(1)4-8-5-6;1-2-4-6-7-5-3-1;1-5(2-6-1)3-7-4-5;1-2-6-4-5-7-3-1;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1/h2*9-10H,1-7H2;9H,1-7H2;8-9H,1-6H2;8H,1-6H2;7-8H,1-5H2;7H,1-6H2;6-7H,1-4H2;6-7H,1-5H2;2*6H,1-5H2;5-6H,1-4H2;5H,1-4H2.

What are the key properties of 2-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;azepane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane;2,6-diazaspiro[3.3]heptane;2,7-diazaspiro[3.5]nonane;2,7-diazaspiro[3.4]octane;1,4-diazepane;piperazine;bis(piperidine);pyrrolidine?

2-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;azepane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane;2,6-diazaspiro[3.3]heptane;2,7-diazaspiro[3.5]nonane;2,7-diazaspiro[3.4]octane;1,4-diazepane;piperazine;bis(piperidine);pyrrolidine has a molecular weight of 1380.29 g/mol, XLogP of 4.03, 0 rotatable bonds, 20 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;azepane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane;2,6-diazaspiro[3.3]heptane;2,7-diazaspiro[3.5]nonane;2,7-diazaspiro[3.4]octane;1,4-diazepane;piperazine;bis(piperidine);pyrrolidine is sourced from PubChem (CID 167634965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).