7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane

C18H26F2N2 — CID 45230882

IUPAC7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
SMILESCCCN1CCC2(CCCN(Cc3cccc(F)c3F)C2)C1
InChIInChI=1S/C18H26F2N2/c1-2-9-21-11-8-18(13-21)7-4-10-22(14-18)12-15-5-3-6-16(19)17(15)20/h3,5-6H,2,4,7-14H2,1H3
InChIKeyOYIPVHJREPUDPF-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.66
Rot. Bonds4

About 7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane

7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane (PubChem CID 45230882) has the molecular formula C18H26F2N2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
PubChem CID45230882
Molecular FormulaC18H26F2N2
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
SMILESCCCN1CCC2(CCCN(Cc3cccc(F)c3F)C2)C1
InChIInChI=1S/C18H26F2N2/c1-2-9-21-11-8-18(13-21)7-4-10-22(14-18)12-15-5-3-6-16(19)17(15)20/h3,5-6H,2,4,7-14H2,1H3
InChIKeyOYIPVHJREPUDPF-UHFFFAOYSA-N
XLogP3.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]propanamide
CID 119071698
9-[(2,3-difluorophenyl)methyl]-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 45206611
7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909547
1-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3,3,3-trifluoropropan-1-one
CID 25386653
7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
CID 45236934
(5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane
CID 42461609
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
[(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone
CID 42461629
(5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 42593843
2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 56710646
9-ethyl-2-propyl-2,9-diazaspiro[4.5]decane
CID 129100662
1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70727854

Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane (CID 45230882) is 7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane is CCCN1CCC2(CCCN(Cc3cccc(F)c3F)C2)C1.
What is the InChIKey of 7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane?
The InChIKey is OYIPVHJREPUDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2/c1-2-9-21-11-8-18(13-21)7-4-10-22(14-18)12-15-5-3-6-16(19)17(15)20/h3,5-6H,2,4,7-14H2,1H3.
What are the key properties of 7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane?
7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane has a molecular weight of 308.42 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 45230882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).