1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride

C15H17Cl2F3N2 — CID 69163017

IUPAC1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1ccc2cccc(N3CCNCC3)c2c1
InChIInChI=1S/C15H15F3N2.2ClH/c16-15(17,18)12-5-4-11-2-1-3-14(13(11)10-12)20-8-6-19-7-9-20;;/h1-5,10,19H,6-9H2;2*1H
InChIKeyQLKPABJCGJMYFB-UHFFFAOYSA-N
MW353.22 g/mol
LogP4.11
Rot. Bonds1

About 1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride

1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride (PubChem CID 69163017) has the molecular formula C15H17Cl2F3N2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride
PubChem CID69163017
Molecular FormulaC15H17Cl2F3N2
Molecular Weight353.22 g/mol
Exact Mass352.07
IUPAC Name1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1ccc2cccc(N3CCNCC3)c2c1
InChIInChI=1S/C15H15F3N2.2ClH/c16-15(17,18)12-5-4-11-2-1-3-14(13(11)10-12)20-8-6-19-7-9-20;;/h1-5,10,19H,6-9H2;2*1H
InChIKeyQLKPABJCGJMYFB-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 130454922
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
CID 121236001
1-[2,4-bis(trifluoromethyl)phenyl]piperazine
CID 86600709
1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 3830901
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
1-[2-methoxy-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 121225637
1-[2-[2,4-bis(trifluoromethyl)phenyl]sulfanylphenyl]piperazine
CID 177359911
8-piperazin-1-ylisoquinoline
CID 21070960
N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide
CID 161309658
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline
CID 143957400
1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride
CID 131731751

Frequently Asked Questions

What is the IUPAC name of 1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride?
The IUPAC name of 1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride (CID 69163017) is 1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride?
The canonical SMILES for 1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride is Cl.Cl.FC(F)(F)c1ccc2cccc(N3CCNCC3)c2c1.
What is the InChIKey of 1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride?
The InChIKey is QLKPABJCGJMYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2.2ClH/c16-15(17,18)12-5-4-11-2-1-3-14(13(11)10-12)20-8-6-19-7-9-20;;/h1-5,10,19H,6-9H2;2*1H.
What are the key properties of 1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride?
1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride has a molecular weight of 353.22 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride is sourced from PubChem (CID 69163017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).