4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

C18H27FN2 — CID 64932927

IUPAC4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CNC2(CCCCC2)CN1c1cccc(F)c1
InChIInChI=1S/C18H27FN2/c1-14(2)17-12-20-18(9-4-3-5-10-18)13-21(17)16-8-6-7-15(19)11-16/h6-8,11,14,17,20H,3-5,9-10,12-13H2,1-2H3
InChIKeyGYEXZPMQIKLUBN-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.96
Rot. Bonds2

About 4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (PubChem CID 64932927) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
PubChem CID64932927
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CNC2(CCCCC2)CN1c1cccc(F)c1
InChIInChI=1S/C18H27FN2/c1-14(2)17-12-20-18(9-4-3-5-10-18)13-21(17)16-8-6-7-15(19)11-16/h6-8,11,14,17,20H,3-5,9-10,12-13H2,1-2H3
InChIKeyGYEXZPMQIKLUBN-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64932826
9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 79046276
9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64931469
4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64935285
4-(4-chlorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934091
9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64948555
4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934711
9-(1-methylpyrazol-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 79785950
4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64931877
3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64932241
9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64875834
7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonane
CID 155982652

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (CID 64932927) is 4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is CC(C)C1CNC2(CCCCC2)CN1c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The InChIKey is GYEXZPMQIKLUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-14(2)17-12-20-18(9-4-3-5-10-18)13-21(17)16-8-6-7-15(19)11-16/h6-8,11,14,17,20H,3-5,9-10,12-13H2,1-2H3.
What are the key properties of 4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane has a molecular weight of 290.43 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64932927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).