3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperidine

C20H21F2N — CID 166747887

IUPAC3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperidine
SMILESFc1ccc2c(c1)CCc1cc(F)ccc1C2C1CCCNC1
InChIInChI=1S/C20H21F2N/c21-16-5-7-18-13(10-16)3-4-14-11-17(22)6-8-19(14)20(18)15-2-1-9-23-12-15/h5-8,10-11,15,20,23H,1-4,9,12H2
InChIKeyMFZYZHYARJPFTD-UHFFFAOYSA-N
MW313.39 g/mol
LogP4.19
Rot. Bonds1

About 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperidine

3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperidine (PubChem CID 166747887) has the molecular formula C20H21F2N and a molecular weight of 313.39 g/mol. Its IUPAC name is 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperidine.

Molecular Properties

Compound Name3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperidine
PubChem CID166747887
Molecular FormulaC20H21F2N
Molecular Weight313.39 g/mol
Exact Mass313.16
IUPAC Name3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperidine
SMILESFc1ccc2c(c1)CCc1cc(F)ccc1C2C1CCCNC1
InChIInChI=1S/C20H21F2N/c21-16-5-7-18-13(10-16)3-4-14-11-17(22)6-8-19(14)20(18)15-2-1-9-23-12-15/h5-8,10-11,15,20,23H,1-4,9,12H2
InChIKeyMFZYZHYARJPFTD-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 122493937
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CID 70221565
(3R)-3-(6-fluoro-2,3-dihydro-1-benzofuran-3-yl)piperidine
CID 176569512
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide;hydrochloride
CID 119301428
1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 83367596
(2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine
CID 122456753
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119745334
(3R)-3-(2-bromo-5-fluorophenyl)piperidine
CID 130626655
(2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
CID 60978149
9-fluoro-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole
CID 77401167
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16666328

Frequently Asked Questions

What is the IUPAC name of 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperidine?
The IUPAC name of 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperidine (CID 166747887) is 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperidine.
What is the SMILES notation for 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperidine?
The canonical SMILES for 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperidine is Fc1ccc2c(c1)CCc1cc(F)ccc1C2C1CCCNC1.
What is the InChIKey of 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperidine?
The InChIKey is MFZYZHYARJPFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N/c21-16-5-7-18-13(10-16)3-4-14-11-17(22)6-8-19(14)20(18)15-2-1-9-23-12-15/h5-8,10-11,15,20,23H,1-4,9,12H2.
What are the key properties of 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperidine?
3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperidine has a molecular weight of 313.39 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperidine is sourced from PubChem (CID 166747887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).