1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine

C16H22ClFN2 — CID 171164593

IUPAC1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine
SMILESFc1ccc(Cl)c([C@H](C2CCCC2)N2CCNCC2)c1
InChIInChI=1S/C16H22ClFN2/c17-15-6-5-13(18)11-14(15)16(12-3-1-2-4-12)20-9-7-19-8-10-20/h5-6,11-12,16,19H,1-4,7-10H2/t16-/m0/s1
InChIKeyVOCUKYNJGMFHPM-INIZCTEOSA-N
MW296.82 g/mol
LogP3.62
Rot. Bonds3

About 1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine

1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine (PubChem CID 171164593) has the molecular formula C16H22ClFN2 and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine
PubChem CID171164593
Molecular FormulaC16H22ClFN2
Molecular Weight296.82 g/mol
Exact Mass296.15
IUPAC Name1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine
SMILESFc1ccc(Cl)c([C@H](C2CCCC2)N2CCNCC2)c1
InChIInChI=1S/C16H22ClFN2/c17-15-6-5-13(18)11-14(15)16(12-3-1-2-4-12)20-9-7-19-8-10-20/h5-6,11-12,16,19H,1-4,7-10H2/t16-/m0/s1
InChIKeyVOCUKYNJGMFHPM-INIZCTEOSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-(2-chloro-5-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164473
1-[(S)-(2-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164424
1-[(R)-(2-bromo-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171169175
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171288565
1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171289649
1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289675
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride
CID 171292778
1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288497
1-[(S)-(5-bromo-2-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171276894
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride
CID 171168246
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
CID 171171751
1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine
CID 171276889

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine?
The IUPAC name of 1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine (CID 171164593) is 1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine is Fc1ccc(Cl)c([C@H](C2CCCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine?
The InChIKey is VOCUKYNJGMFHPM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22ClFN2/c17-15-6-5-13(18)11-14(15)16(12-3-1-2-4-12)20-9-7-19-8-10-20/h5-6,11-12,16,19H,1-4,7-10H2/t16-/m0/s1.
What are the key properties of 1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine?
1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine has a molecular weight of 296.82 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine is sourced from PubChem (CID 171164593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).