1-[(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine

C17H22ClF3N2 — CID 171165357

IUPAC1-[(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine
SMILESFC(F)(F)c1cc(Cl)ccc1[C@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C17H22ClF3N2/c18-13-5-6-14(15(11-13)17(19,20)21)16(12-3-1-2-4-12)23-9-7-22-8-10-23/h5-6,11-12,16,22H,1-4,7-10H2/t16-/m0/s1
InChIKeyAGHJVSLFECXGOH-INIZCTEOSA-N
MW346.82 g/mol
LogP4.50
Rot. Bonds3

About 1-[(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine

1-[(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine (PubChem CID 171165357) has the molecular formula C17H22ClF3N2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 1-[(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine
PubChem CID171165357
Molecular FormulaC17H22ClF3N2
Molecular Weight346.82 g/mol
Exact Mass346.14
IUPAC Name1-[(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine
SMILESFC(F)(F)c1cc(Cl)ccc1[C@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C17H22ClF3N2/c18-13-5-6-14(15(11-13)17(19,20)21)16(12-3-1-2-4-12)23-9-7-22-8-10-23/h5-6,11-12,16,22H,1-4,7-10H2/t16-/m0/s1
InChIKeyAGHJVSLFECXGOH-INIZCTEOSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 171166055
1-[(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;dihydrochloride
CID 171280552
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703
1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171275461
1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171179117
1-[(R)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171288701
1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171276766
1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171294012
1-[(R)-cyclobutyl-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171292074
1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171171716
4-chloro-2-[(S)-cyclopentyl(piperazin-1-yl)methyl]phenol
CID 171272117
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171288565

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine?
The IUPAC name of 1-[(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine (CID 171165357) is 1-[(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine?
The canonical SMILES for 1-[(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine is FC(F)(F)c1cc(Cl)ccc1[C@H](C1CCCC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine?
The InChIKey is AGHJVSLFECXGOH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22ClF3N2/c18-13-5-6-14(15(11-13)17(19,20)21)16(12-3-1-2-4-12)23-9-7-22-8-10-23/h5-6,11-12,16,22H,1-4,7-10H2/t16-/m0/s1.
What are the key properties of 1-[(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine?
1-[(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine has a molecular weight of 346.82 g/mol, XLogP of 4.50, 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-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine is sourced from PubChem (CID 171165357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).