1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

C22H29FN4O — CID 135112042

About 1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (PubChem CID 135112042) has the molecular formula C22H29FN4O and a molecular weight of 384.50 g/mol. Its IUPAC name is 1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.

Molecular Properties

• Compound Name: 1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
• PubChem CID: 135112042
• Molecular Formula: C22H29FN4O
• Molecular Weight: 384.50 g/mol
• Exact Mass: 384.23
• IUPAC Name: 1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
• SMILES: CN(C)c1ncc2c(n1)C1(CCCN(CCCOc3ccc(F)cc3)C1)CC2
• InChI: InChI=1S/C22H29FN4O/c1-26(2)21-24-15-17-9-11-22(20(17)25-21)10-3-12-27(16-22)13-4-14-28-19-7-5-18(23)6-8-19/h5-8,15H,3-4,9-14,16H2,1-2H3
• InChIKey: MMJDYDZTRQMAAS-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 41.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.50
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?

The IUPAC name of 1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (CID 135112042) is 1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.

What is the SMILES notation for 1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?

The canonical SMILES for 1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is CN(C)c1ncc2c(n1)C1(CCCN(CCCOc3ccc(F)cc3)C1)CC2.

What is the InChIKey of 1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?

The InChIKey is MMJDYDZTRQMAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O/c1-26(2)21-24-15-17-9-11-22(20(17)25-21)10-3-12-27(16-22)13-4-14-28-19-7-5-18(23)6-8-19/h5-8,15H,3-4,9-14,16H2,1-2H3.

What are the key properties of 1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?

1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine has a molecular weight of 384.50 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is sourced from PubChem (CID 135112042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).