(1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol

C17H24FNO — CID 78941148

IUPAC(1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCC3(CCCC3)CC2)c(F)c1
InChIInChI=1S/C17H24FNO/c1-13(20)14-4-5-16(15(18)12-14)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12-13,20H,2-3,6-11H2,1H3/t13-/m0/s1
InChIKeyGUDDUFHGZNRPLK-ZDUSSCGKSA-N
MW277.38 g/mol
LogP4.04
Rot. Bonds2

About (1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol

(1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol (PubChem CID 78941148) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is (1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol
PubChem CID78941148
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name(1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCC3(CCCC3)CC2)c(F)c1
InChIInChI=1S/C17H24FNO/c1-13(20)14-4-5-16(15(18)12-14)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12-13,20H,2-3,6-11H2,1H3/t13-/m0/s1
InChIKeyGUDDUFHGZNRPLK-ZDUSSCGKSA-N
XLogP4.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-bromophenyl]ethanol
CID 78941137
(1S)-1-[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-fluorophenyl]ethanol
CID 107456630
(1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol
CID 78941130
1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 43505896
(1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939132
1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol
CID 43506027
(1R)-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941064
1-[1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836510
(1R)-1-[3-fluoro-4-(4-methylazepan-1-yl)phenyl]ethanol
CID 78946729
1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol
CID 82970943
(1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
CID 79010590
1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol
CID 79188918

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol (CID 78941148) is (1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol is C[C@H](O)c1ccc(N2CCC3(CCCC3)CC2)c(F)c1.
What is the InChIKey of (1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol?
The InChIKey is GUDDUFHGZNRPLK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24FNO/c1-13(20)14-4-5-16(15(18)12-14)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12-13,20H,2-3,6-11H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol?
(1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol has a molecular weight of 277.38 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol is sourced from PubChem (CID 78941148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).