1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride

C14H19Cl2F3N2 — CID 171290613

IUPAC1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc([C@@H](C2CC2)N2CCNCC2)c(F)c1F
InChIInChI=1S/C14H17F3N2.2ClH/c15-11-4-3-10(12(16)13(11)17)14(9-1-2-9)19-7-5-18-6-8-19;;/h3-4,9,14,18H,1-2,5-8H2;2*1H/t14-;;/m1../s1
InChIKeyGHKDFEJQYFSKSQ-FMOMHUKBSA-N
MW343.22 g/mol
LogP3.30
Rot. Bonds3

About 1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride

1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride (PubChem CID 171290613) has the molecular formula C14H19Cl2F3N2 and a molecular weight of 343.22 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride
PubChem CID171290613
Molecular FormulaC14H19Cl2F3N2
Molecular Weight343.22 g/mol
Exact Mass342.09
IUPAC Name1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc([C@@H](C2CC2)N2CCNCC2)c(F)c1F
InChIInChI=1S/C14H17F3N2.2ClH/c15-11-4-3-10(12(16)13(11)17)14(9-1-2-9)19-7-5-18-6-8-19;;/h3-4,9,14,18H,1-2,5-8H2;2*1H/t14-;;/m1../s1
InChIKeyGHKDFEJQYFSKSQ-FMOMHUKBSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171179692
1-[(S)-cyclohexyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164946
1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine
CID 171164909
1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine
CID 171289598
6-[(S)-cyclobutyl(piperazin-1-yl)methyl]-2,3-difluorophenol;dihydrochloride
CID 171297572
1-[(S)-cyclopropyl-(2,3,6-trifluorophenyl)methyl]piperazine
CID 171277670
1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride
CID 171175923
1-[(R)-cyclopropyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289674
1-[(R)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171288701
1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171179117
1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296719
1-[(S)-cyclohexyl-(2,3,6-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164678

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride (CID 171290613) is 1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride is Cl.Cl.Fc1ccc([C@@H](C2CC2)N2CCNCC2)c(F)c1F.
What is the InChIKey of 1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride?
The InChIKey is GHKDFEJQYFSKSQ-FMOMHUKBSA-N. The full InChI is InChI=1S/C14H17F3N2.2ClH/c15-11-4-3-10(12(16)13(11)17)14(9-1-2-9)19-7-5-18-6-8-19;;/h3-4,9,14,18H,1-2,5-8H2;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride has a molecular weight of 343.22 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171290613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).