1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine

C17H21ClF4N2 — CID 171171472

IUPAC1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine
SMILESFc1c(Cl)cc(C(F)(F)F)cc1[C@@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C17H21ClF4N2/c18-14-10-12(17(20,21)22)9-13(15(14)19)16(11-3-1-2-4-11)24-7-5-23-6-8-24/h9-11,16,23H,1-8H2/t16-/m1/s1
InChIKeyRCCUHODFIKSCFP-MRXNPFEDSA-N
MW364.81 g/mol
LogP4.63
Rot. Bonds3

About 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine

1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine (PubChem CID 171171472) has the molecular formula C17H21ClF4N2 and a molecular weight of 364.81 g/mol. Its IUPAC name is 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine
PubChem CID171171472
Molecular FormulaC17H21ClF4N2
Molecular Weight364.81 g/mol
Exact Mass364.13
IUPAC Name1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine
SMILESFc1c(Cl)cc(C(F)(F)F)cc1[C@@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C17H21ClF4N2/c18-14-10-12(17(20,21)22)9-13(15(14)19)16(11-3-1-2-4-11)24-7-5-23-6-8-24/h9-11,16,23H,1-8H2/t16-/m1/s1
InChIKeyRCCUHODFIKSCFP-MRXNPFEDSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
CID 171166217
1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine
CID 171292567
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride
CID 171292778
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
CID 171171751
1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2,2-difluoroethyl]piperazine
CID 171279941
1-[(S)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine
CID 171180538
1-[(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine
CID 171182017
1-[(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171279937
1-[(S)-[3,5-bis(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;hydrochloride
CID 171162869
1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171292751
1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171165291
1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine
CID 171177046

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine?
The IUPAC name of 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine (CID 171171472) is 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine?
The canonical SMILES for 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine is Fc1c(Cl)cc(C(F)(F)F)cc1[C@@H](C1CCCC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine?
The InChIKey is RCCUHODFIKSCFP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21ClF4N2/c18-14-10-12(17(20,21)22)9-13(15(14)19)16(11-3-1-2-4-11)24-7-5-23-6-8-24/h9-11,16,23H,1-8H2/t16-/m1/s1.
What are the key properties of 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine?
1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine has a molecular weight of 364.81 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine is sourced from PubChem (CID 171171472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).