1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride

C15H21Cl2FN2 — CID 171179117

IUPAC1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
SMILESCl.Fc1cc(Cl)ccc1[C@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C15H20ClFN2.ClH/c16-12-4-5-13(14(17)10-12)15(11-2-1-3-11)19-8-6-18-7-9-19;/h4-5,10-11,15,18H,1-3,6-9H2;1H/t15-;/m0./s1
InChIKeySSGJGPKOPOIRJR-RSAXXLAASA-N
MW319.25 g/mol
LogP3.65
Rot. Bonds3

About 1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride

1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride (PubChem CID 171179117) has the molecular formula C15H21Cl2FN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
PubChem CID171179117
Molecular FormulaC15H21Cl2FN2
Molecular Weight319.25 g/mol
Exact Mass318.11
IUPAC Name1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
SMILESCl.Fc1cc(Cl)ccc1[C@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C15H20ClFN2.ClH/c16-12-4-5-13(14(17)10-12)15(11-2-1-3-11)19-8-6-18-7-9-19;/h4-5,10-11,15,18H,1-3,6-9H2;1H/t15-;/m0./s1
InChIKeySSGJGPKOPOIRJR-RSAXXLAASA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171288701
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703
1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171275461
1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine
CID 82304452
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride
CID 171273291
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride
CID 171162966
1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171179692
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-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171294012
1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171276766
1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171289352

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride (CID 171179117) is 1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride is Cl.Fc1cc(Cl)ccc1[C@H](C1CCC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride?
The InChIKey is SSGJGPKOPOIRJR-RSAXXLAASA-N. The full InChI is InChI=1S/C15H20ClFN2.ClH/c16-12-4-5-13(14(17)10-12)15(11-2-1-3-11)19-8-6-18-7-9-19;/h4-5,10-11,15,18H,1-3,6-9H2;1H/t15-;/m0./s1.
What are the key properties of 1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride?
1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride has a molecular weight of 319.25 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride is sourced from PubChem (CID 171179117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).