1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride

C11H18Cl2F3N3 — CID 171281879

IUPAC1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.Cn1cccc1[C@@H](N1CCNCC1)C(F)(F)F
InChIInChI=1S/C11H16F3N3.2ClH/c1-16-6-2-3-9(16)10(11(12,13)14)17-7-4-15-5-8-17;;/h2-3,6,10,15H,4-5,7-8H2,1H3;2*1H/t10-;;/m1../s1
InChIKeyFJCODDPPNLBZTN-YQFADDPSSA-N
MW320.19 g/mol
LogP2.38
Rot. Bonds2

About 1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride

1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride (PubChem CID 171281879) has the molecular formula C11H18Cl2F3N3 and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride
PubChem CID171281879
Molecular FormulaC11H18Cl2F3N3
Molecular Weight320.19 g/mol
Exact Mass319.08
IUPAC Name1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.Cn1cccc1[C@@H](N1CCNCC1)C(F)(F)F
InChIInChI=1S/C11H16F3N3.2ClH/c1-16-6-2-3-9(16)10(11(12,13)14)17-7-4-15-5-8-17;;/h2-3,6,10,15H,4-5,7-8H2,1H3;2*1H/t10-;;/m1../s1
InChIKeyFJCODDPPNLBZTN-YQFADDPSSA-N
XLogP2.38
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine
CID 171294498
1-[(1S)-2,2-dimethyl-1-(1-methylpyrrol-2-yl)propyl]piperazine;dihydrochloride
CID 171281897
1-[(1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride
CID 171281880
1-[(1R)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280306
1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171285064
1-[(1R)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
CID 171180299
1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171178570
1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine
CID 131475959
1-[(1S)-1-(2-chloro-6-methylphenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171177438
1-[(1S)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethyl]piperazine;hydrochloride
CID 171177666
1-[(1S)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine
CID 171177599
1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171174920

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride (CID 171281879) is 1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride is Cl.Cl.Cn1cccc1[C@@H](N1CCNCC1)C(F)(F)F.
What is the InChIKey of 1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride?
The InChIKey is FJCODDPPNLBZTN-YQFADDPSSA-N. The full InChI is InChI=1S/C11H16F3N3.2ClH/c1-16-6-2-3-9(16)10(11(12,13)14)17-7-4-15-5-8-17;;/h2-3,6,10,15H,4-5,7-8H2,1H3;2*1H/t10-;;/m1../s1.
What are the key properties of 1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride?
1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride has a molecular weight of 320.19 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171281879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).