1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride

C15H20ClF3N2 — CID 171179692

IUPAC1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride
SMILESCl.Fc1ccc([C@H](C2CCC2)N2CCNCC2)c(F)c1F
InChIInChI=1S/C15H19F3N2.ClH/c16-12-5-4-11(13(17)14(12)18)15(10-2-1-3-10)20-8-6-19-7-9-20;/h4-5,10,15,19H,1-3,6-9H2;1H/t15-;/m0./s1
InChIKeyLZSOCKOYFCGOMN-RSAXXLAASA-N
MW320.79 g/mol
LogP3.27
Rot. Bonds3

About 1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride

1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride (PubChem CID 171179692) has the molecular formula C15H20ClF3N2 and a molecular weight of 320.79 g/mol. Its IUPAC name is 1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride
PubChem CID171179692
Molecular FormulaC15H20ClF3N2
Molecular Weight320.79 g/mol
Exact Mass320.13
IUPAC Name1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride
SMILESCl.Fc1ccc([C@H](C2CCC2)N2CCNCC2)c(F)c1F
InChIInChI=1S/C15H19F3N2.ClH/c16-12-5-4-11(13(17)14(12)18)15(10-2-1-3-10)20-8-6-19-7-9-20;/h4-5,10,15,19H,1-3,6-9H2;1H/t15-;/m0./s1
InChIKeyLZSOCKOYFCGOMN-RSAXXLAASA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 53.27
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)-cyclohexyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164946
1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine
CID 171164909
1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride
CID 171290613
6-[(S)-cyclobutyl(piperazin-1-yl)methyl]-2,3-difluorophenol;dihydrochloride
CID 171297572
1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride
CID 171175923
1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171179117
1-[(R)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171288701
1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289675
2-chloro-6-[(R)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride
CID 171300291
2-chloro-6-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride
CID 171297812
1-[(S)-cyclohexyl-(2,3,6-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164678
1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine
CID 82304452

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride (CID 171179692) is 1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride is Cl.Fc1ccc([C@H](C2CCC2)N2CCNCC2)c(F)c1F.
What is the InChIKey of 1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride?
The InChIKey is LZSOCKOYFCGOMN-RSAXXLAASA-N. The full InChI is InChI=1S/C15H19F3N2.ClH/c16-12-5-4-11(13(17)14(12)18)15(10-2-1-3-10)20-8-6-19-7-9-20;/h4-5,10,15,19H,1-3,6-9H2;1H/t15-;/m0./s1.
What are the key properties of 1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride?
1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride has a molecular weight of 320.79 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 171179692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).