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

C20H25ClF2N2 — CID 18667957

IUPAC1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine;hydrochloride
SMILESCl.FC1(F)C2C3=CC=CCC3C(N3CCNCC3)C3CC=CC=C3C21
InChIInChI=1S/C20H24F2N2.ClH/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;1H
InChIKeyCNMQGJOBAWMFRI-UHFFFAOYSA-N
MW366.88 g/mol
LogP3.58
Rot. Bonds1

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

1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine;hydrochloride (PubChem CID 18667957) has the molecular formula C20H25ClF2N2 and a molecular weight of 366.88 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;hydrochloride.

Molecular Properties

Compound Name1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine;hydrochloride
PubChem CID18667957
Molecular FormulaC20H25ClF2N2
Molecular Weight366.88 g/mol
Exact Mass366.17
IUPAC Name1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine;hydrochloride
SMILESCl.FC1(F)C2C3=CC=CCC3C(N3CCNCC3)C3CC=CC=C3C21
InChIInChI=1S/C20H24F2N2.ClH/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;1H
InChIKeyCNMQGJOBAWMFRI-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.88
LogP ≤ 53.58
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;hydrochloride?
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;hydrochloride (CID 18667957) is 1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine;hydrochloride.
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;hydrochloride?
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;hydrochloride is Cl.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;hydrochloride?
The InChIKey is CNMQGJOBAWMFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2.ClH/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;1H.
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;hydrochloride?
1-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine;hydrochloride has a molecular weight of 366.88 g/mol, XLogP of 3.58, 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;hydrochloride is sourced from PubChem (CID 18667957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).