(6S,11S)-2-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol

C23H27F3N2O2 — CID 164690797

IUPAC(6S,11S)-2-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol
SMILESO[C@H]1CCNC[C@]12CCCN(Cc1cccc(Oc3cccc(C(F)(F)F)c3)c1)C2
InChIInChI=1S/C23H27F3N2O2/c24-23(25,26)18-5-2-7-20(13-18)30-19-6-1-4-17(12-19)14-28-11-3-9-22(16-28)15-27-10-8-21(22)29/h1-2,4-7,12-13,21,27,29H,3,8-11,14-16H2/t21-,22-/m0/s1
InChIKeyREHCWWHRSMUSCY-VXKWHMMOSA-N
MW420.48 g/mol
LogP4.43
Rot. Bonds4

About (6S,11S)-2-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol

(6S,11S)-2-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol (PubChem CID 164690797) has the molecular formula C23H27F3N2O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is (6S,11S)-2-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol.

Molecular Properties

Compound Name(6S,11S)-2-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol
PubChem CID164690797
Molecular FormulaC23H27F3N2O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name(6S,11S)-2-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol
SMILESO[C@H]1CCNC[C@]12CCCN(Cc1cccc(Oc3cccc(C(F)(F)F)c3)c1)C2
InChIInChI=1S/C23H27F3N2O2/c24-23(25,26)18-5-2-7-20(13-18)30-19-6-1-4-17(12-19)14-28-11-3-9-22(16-28)15-27-10-8-21(22)29/h1-2,4-7,12-13,21,27,29H,3,8-11,14-16H2/t21-,22-/m0/s1
InChIKeyREHCWWHRSMUSCY-VXKWHMMOSA-N
XLogP4.43
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6S,11S)-2-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5S)-7-[[3-(4-piperidin-1-ylbutoxy)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 165424125
2-benzyl-2,10-diazaspiro[4.6]undecan-6-ol
CID 83488694
[(3aS,7aR)-2-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811758
4-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid
CID 68722428
4-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxamide
CID 154014977
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
(5S,6S)-8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110156761
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906053
6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane
CID 64846799
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 103728549
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
[3-[3-(piperidin-1-ylmethyl)phenoxy]phenyl]methanol
CID 68777108

Frequently Asked Questions

What is the IUPAC name of (6S,11S)-2-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol?
The IUPAC name of (6S,11S)-2-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol (CID 164690797) is (6S,11S)-2-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol.
What is the SMILES notation for (6S,11S)-2-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol?
The canonical SMILES for (6S,11S)-2-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol is O[C@H]1CCNC[C@]12CCCN(Cc1cccc(Oc3cccc(C(F)(F)F)c3)c1)C2.
What is the InChIKey of (6S,11S)-2-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol?
The InChIKey is REHCWWHRSMUSCY-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H27F3N2O2/c24-23(25,26)18-5-2-7-20(13-18)30-19-6-1-4-17(12-19)14-28-11-3-9-22(16-28)15-27-10-8-21(22)29/h1-2,4-7,12-13,21,27,29H,3,8-11,14-16H2/t21-,22-/m0/s1.
What are the key properties of (6S,11S)-2-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol?
(6S,11S)-2-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol has a molecular weight of 420.48 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,11S)-2-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol is sourced from PubChem (CID 164690797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).