4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol

C15H18F3NO4S — CID 134259172

IUPAC4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
SMILESO=S(=O)(c1ccc(OC2CCNCC2)c2c1C(O)CC2)C(F)(F)F
InChIInChI=1S/C15H18F3NO4S/c16-15(17,18)24(21,22)13-4-3-12(10-1-2-11(20)14(10)13)23-9-5-7-19-8-6-9/h3-4,9,11,19-20H,1-2,5-8H2
InChIKeyXOKWRVDNWBSSTJ-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.09
Rot. Bonds3

About 4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol

4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 134259172) has the molecular formula C15H18F3NO4S and a molecular weight of 365.37 g/mol. Its IUPAC name is 4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID134259172
Molecular FormulaC15H18F3NO4S
Molecular Weight365.37 g/mol
Exact Mass365.09
IUPAC Name4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
SMILESO=S(=O)(c1ccc(OC2CCNCC2)c2c1C(O)CC2)C(F)(F)F
InChIInChI=1S/C15H18F3NO4S/c16-15(17,18)24(21,22)13-4-3-12(10-1-2-11(20)14(10)13)23-9-5-7-19-8-6-9/h3-4,9,11,19-20H,1-2,5-8H2
InChIKeyXOKWRVDNWBSSTJ-UHFFFAOYSA-N
XLogP2.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-5-fluorophenoxy)-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
CID 123784434
(1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 122532867
(1S)-2,2-difluoro-4-(3-methoxycyclobutyl)oxy-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 134259275
4-[2-(difluoromethylsulfonyl)phenoxy]piperidine
CID 62341872
4-[2-(1,1-difluoroethyl)phenoxy]piperidine
CID 115044136
4-methoxy-3-piperidin-4-yloxybenzoic acid
CID 117053793
7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-2,3-dihydro-1H-inden-1-ol
CID 123615579
N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
CID 43455238
N-cyclopropyl-2,3-diiodo-6-piperidin-4-yloxybenzenesulfonamide
CID 142274610
(2,2,2-trifluoroacetyl) 4-piperidin-4-yloxybenzoate
CID 123933976
4-(2-tert-butyl-4-fluorophenoxy)piperidine
CID 46941721
4-(4-tert-butyl-2-methylphenoxy)piperidine
CID 43351932

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol (CID 134259172) is 4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol is O=S(=O)(c1ccc(OC2CCNCC2)c2c1C(O)CC2)C(F)(F)F.
What is the InChIKey of 4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is XOKWRVDNWBSSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO4S/c16-15(17,18)24(21,22)13-4-3-12(10-1-2-11(20)14(10)13)23-9-5-7-19-8-6-9/h3-4,9,11,19-20H,1-2,5-8H2.
What are the key properties of 4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 365.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 134259172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).