7-bromo-4-fluoro-2,2-dimethyl-1-piperidin-4-yl-3H-inden-1-ol

C16H21BrFNO — CID 58951092

IUPAC7-bromo-4-fluoro-2,2-dimethyl-1-piperidin-4-yl-3H-inden-1-ol
SMILESCC1(C)Cc2c(F)ccc(Br)c2C1(O)C1CCNCC1
InChIInChI=1S/C16H21BrFNO/c1-15(2)9-11-13(18)4-3-12(17)14(11)16(15,20)10-5-7-19-8-6-10/h3-4,10,19-20H,5-9H2,1-2H3
InChIKeyVDOBQOJFHNZGFZ-UHFFFAOYSA-N
MW342.25 g/mol
LogP3.36
Rot. Bonds1

About 7-bromo-4-fluoro-2,2-dimethyl-1-piperidin-4-yl-3H-inden-1-ol

7-bromo-4-fluoro-2,2-dimethyl-1-piperidin-4-yl-3H-inden-1-ol (PubChem CID 58951092) has the molecular formula C16H21BrFNO and a molecular weight of 342.25 g/mol. Its IUPAC name is 7-bromo-4-fluoro-2,2-dimethyl-1-piperidin-4-yl-3H-inden-1-ol.

Molecular Properties

Compound Name7-bromo-4-fluoro-2,2-dimethyl-1-piperidin-4-yl-3H-inden-1-ol
PubChem CID58951092
Molecular FormulaC16H21BrFNO
Molecular Weight342.25 g/mol
Exact Mass341.08
IUPAC Name7-bromo-4-fluoro-2,2-dimethyl-1-piperidin-4-yl-3H-inden-1-ol
SMILESCC1(C)Cc2c(F)ccc(Br)c2C1(O)C1CCNCC1
InChIInChI=1S/C16H21BrFNO/c1-15(2)9-11-13(18)4-3-12(17)14(11)16(15,20)10-5-7-19-8-6-10/h3-4,10,19-20H,5-9H2,1-2H3
InChIKeyVDOBQOJFHNZGFZ-UHFFFAOYSA-N
XLogP3.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11559480
7-bromo-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11631765
7-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11638985
4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950909
4-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950913
4,7-dibromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950923
4-bromo-6-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950941
4-bromo-6,7-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950942
ethyl 4-(7-bromo-4-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate
CID 58950948
6-bromo-4-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950959
(1R,3R)-4-bromo-7-fluoro-2,2-dimethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indene-1,3-diol
CID 58950966
5,7-dibromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950968

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-fluoro-2,2-dimethyl-1-piperidin-4-yl-3H-inden-1-ol?
The IUPAC name of 7-bromo-4-fluoro-2,2-dimethyl-1-piperidin-4-yl-3H-inden-1-ol (CID 58951092) is 7-bromo-4-fluoro-2,2-dimethyl-1-piperidin-4-yl-3H-inden-1-ol.
What is the SMILES notation for 7-bromo-4-fluoro-2,2-dimethyl-1-piperidin-4-yl-3H-inden-1-ol?
The canonical SMILES for 7-bromo-4-fluoro-2,2-dimethyl-1-piperidin-4-yl-3H-inden-1-ol is CC1(C)Cc2c(F)ccc(Br)c2C1(O)C1CCNCC1.
What is the InChIKey of 7-bromo-4-fluoro-2,2-dimethyl-1-piperidin-4-yl-3H-inden-1-ol?
The InChIKey is VDOBQOJFHNZGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFNO/c1-15(2)9-11-13(18)4-3-12(17)14(11)16(15,20)10-5-7-19-8-6-10/h3-4,10,19-20H,5-9H2,1-2H3.
What are the key properties of 7-bromo-4-fluoro-2,2-dimethyl-1-piperidin-4-yl-3H-inden-1-ol?
7-bromo-4-fluoro-2,2-dimethyl-1-piperidin-4-yl-3H-inden-1-ol has a molecular weight of 342.25 g/mol, XLogP of 3.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-fluoro-2,2-dimethyl-1-piperidin-4-yl-3H-inden-1-ol is sourced from PubChem (CID 58951092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).