3-[3,6-bis(trifluoromethyl)carbazol-9-yl]piperidin-4-ol

C19H16F6N2O — CID 90281682

IUPAC3-[3,6-bis(trifluoromethyl)carbazol-9-yl]piperidin-4-ol
SMILESOC1CCNCC1n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H16F6N2O/c20-18(21,22)10-1-3-14-12(7-10)13-8-11(19(23,24)25)2-4-15(13)27(14)16-9-26-6-5-17(16)28/h1-4,7-8,16-17,26,28H,5-6,9H2
InChIKeyVLGXCBDZCYEOCB-UHFFFAOYSA-N
MW402.34 g/mol
LogP4.73
Rot. Bonds1

About 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]piperidin-4-ol

3-[3,6-bis(trifluoromethyl)carbazol-9-yl]piperidin-4-ol (PubChem CID 90281682) has the molecular formula C19H16F6N2O and a molecular weight of 402.34 g/mol. Its IUPAC name is 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]piperidin-4-ol.

Molecular Properties

Compound Name3-[3,6-bis(trifluoromethyl)carbazol-9-yl]piperidin-4-ol
PubChem CID90281682
Molecular FormulaC19H16F6N2O
Molecular Weight402.34 g/mol
Exact Mass402.12
IUPAC Name3-[3,6-bis(trifluoromethyl)carbazol-9-yl]piperidin-4-ol
SMILESOC1CCNCC1n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H16F6N2O/c20-18(21,22)10-1-3-14-12(7-10)13-8-11(19(23,24)25)2-4-15(13)27(14)16-9-26-6-5-17(16)28/h1-4,7-8,16-17,26,28H,5-6,9H2
InChIKeyVLGXCBDZCYEOCB-UHFFFAOYSA-N
XLogP4.73
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]piperidin-4-ol?
The IUPAC name of 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]piperidin-4-ol (CID 90281682) is 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]piperidin-4-ol.
What is the SMILES notation for 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]piperidin-4-ol?
The canonical SMILES for 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]piperidin-4-ol is OC1CCNCC1n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]piperidin-4-ol?
The InChIKey is VLGXCBDZCYEOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N2O/c20-18(21,22)10-1-3-14-12(7-10)13-8-11(19(23,24)25)2-4-15(13)27(14)16-9-26-6-5-17(16)28/h1-4,7-8,16-17,26,28H,5-6,9H2.
What are the key properties of 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]piperidin-4-ol?
3-[3,6-bis(trifluoromethyl)carbazol-9-yl]piperidin-4-ol has a molecular weight of 402.34 g/mol, XLogP of 4.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]piperidin-4-ol is sourced from PubChem (CID 90281682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).