6-[(5-chloro-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane

C17H24ClFN2 — CID 103050788

IUPAC6-[(5-chloro-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CN(Cc2cc(Cl)ccc2F)C2(CCCC2)CN1
InChIInChI=1S/C17H24ClFN2/c1-2-15-11-21(17(12-20-15)7-3-4-8-17)10-13-9-14(18)5-6-16(13)19/h5-6,9,15,20H,2-4,7-8,10-12H2,1H3
InChIKeyRCDUIGNSJOOSPF-UHFFFAOYSA-N
MW310.84 g/mol
LogP3.98
Rot. Bonds3

About 6-[(5-chloro-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane

6-[(5-chloro-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane (PubChem CID 103050788) has the molecular formula C17H24ClFN2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 6-[(5-chloro-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[(5-chloro-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
PubChem CID103050788
Molecular FormulaC17H24ClFN2
Molecular Weight310.84 g/mol
Exact Mass310.16
IUPAC Name6-[(5-chloro-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CN(Cc2cc(Cl)ccc2F)C2(CCCC2)CN1
InChIInChI=1S/C17H24ClFN2/c1-2-15-11-21(17(12-20-15)7-3-4-8-17)10-13-9-14(18)5-6-16(13)19/h5-6,9,15,20H,2-4,7-8,10-12H2,1H3
InChIKeyRCDUIGNSJOOSPF-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.84
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64843737
1-[(5-chloro-2-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 103050786
6-[(2,5-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64844149
1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 114857928
1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841386
1-[(5-chloro-2-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 103050775
3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 80697421
8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane
CID 81114428
6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64838297
8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64841020
6-[(2,6-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 114934563
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-diethyl-2-methylpiperazine
CID 64843141

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-[(5-chloro-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane (CID 103050788) is 6-[(5-chloro-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[(5-chloro-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-[(5-chloro-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane is CCC1CN(Cc2cc(Cl)ccc2F)C2(CCCC2)CN1.
What is the InChIKey of 6-[(5-chloro-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
The InChIKey is RCDUIGNSJOOSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2/c1-2-15-11-21(17(12-20-15)7-3-4-8-17)10-13-9-14(18)5-6-16(13)19/h5-6,9,15,20H,2-4,7-8,10-12H2,1H3.
What are the key properties of 6-[(5-chloro-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
6-[(5-chloro-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane has a molecular weight of 310.84 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 103050788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).