1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine

C20H24F2N2 — CID 18667958

IUPAC1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine
SMILESFC1(F)C2C3=CC=CCC3C(N3CCNCC3)C3CC=CC=C3C21
InChIInChI=1S/C20H24F2N2/c21-20(22)17-13-5-1-3-7-15(13)19(24-11-9-23-10-12-24)16-8-4-2-6-14(16)18(17)20/h1-6,15-19,23H,7-12H2
InChIKeyMNPNVDQBWFBICZ-UHFFFAOYSA-N
MW330.42 g/mol
LogP3.16
Rot. Bonds1

About 1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine

1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine (PubChem CID 18667958) has the molecular formula C20H24F2N2 and a molecular weight of 330.42 g/mol. Its IUPAC name is 1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine.

Molecular Properties

Compound Name1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine
PubChem CID18667958
Molecular FormulaC20H24F2N2
Molecular Weight330.42 g/mol
Exact Mass330.19
IUPAC Name1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine
SMILESFC1(F)C2C3=CC=CCC3C(N3CCNCC3)C3CC=CC=C3C21
InChIInChI=1S/C20H24F2N2/c21-20(22)17-13-5-1-3-7-15(13)19(24-11-9-23-10-12-24)16-8-4-2-6-14(16)18(17)20/h1-6,15-19,23H,7-12H2
InChIKeyMNPNVDQBWFBICZ-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine?
The IUPAC name of 1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine (CID 18667958) is 1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine.
What is the SMILES notation for 1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine?
The canonical SMILES for 1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine is FC1(F)C2C3=CC=CCC3C(N3CCNCC3)C3CC=CC=C3C21.
What is the InChIKey of 1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine?
The InChIKey is MNPNVDQBWFBICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2/c21-20(22)17-13-5-1-3-7-15(13)19(24-11-9-23-10-12-24)16-8-4-2-6-14(16)18(17)20/h1-6,15-19,23H,7-12H2.
What are the key properties of 1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine?
1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine has a molecular weight of 330.42 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine is sourced from PubChem (CID 18667958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).