1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane

C15H23FN2O — CID 64942694

IUPAC1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane
SMILESCCCC1CN(c2ccc(F)cc2OC)CCCN1
InChIInChI=1S/C15H23FN2O/c1-3-5-13-11-18(9-4-8-17-13)14-7-6-12(16)10-15(14)19-2/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3
InChIKeyRKUDLMPIFWHAMM-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.80
Rot. Bonds4

About 1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane

1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane (PubChem CID 64942694) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane
PubChem CID64942694
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane
SMILESCCCC1CN(c2ccc(F)cc2OC)CCCN1
InChIInChI=1S/C15H23FN2O/c1-3-5-13-11-18(9-4-8-17-13)14-7-6-12(16)10-15(14)19-2/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3
InChIKeyRKUDLMPIFWHAMM-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane
CID 64943890
1-(5-bromo-2-methoxyphenyl)-3-propyl-1,4-diazepane
CID 64945407
1-(2,4-difluorophenyl)-3-propylpiperazine
CID 64925789
3-propyl-1-[2-(trifluoromethoxy)phenyl]-1,4-diazepane
CID 64943289
1-(4-bromo-2-fluorophenyl)-3-propyl-1,4-diazepane
CID 64943768
1-(4-fluoro-2-iodophenyl)-3-propylpiperazine
CID 79771519
1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine
CID 64924290
1-(2-methoxy-5-methylphenyl)-3-propylpiperazine
CID 64923794
1-(2-bromo-4-methylphenyl)-3-propyl-1,4-diazepane
CID 64944752
3-ethyl-1-(5-fluoro-2-methylphenyl)-1,4-diazepane
CID 64944694
1-(2,6-dichloro-4-fluorophenyl)-3-propyl-1,4-diazepane
CID 83081285
1-(4-bromo-2-ethylphenyl)-3-propyl-1,4-diazepane
CID 81289696

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane (CID 64942694) is 1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane is CCCC1CN(c2ccc(F)cc2OC)CCCN1.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane?
The InChIKey is RKUDLMPIFWHAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-5-13-11-18(9-4-8-17-13)14-7-6-12(16)10-15(14)19-2/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane?
1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane has a molecular weight of 266.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane is sourced from PubChem (CID 64942694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).