1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine

C16H21F3N2 — CID 171164909

IUPAC1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine
SMILESFc1ccc([C@H](C2CCCC2)N2CCNCC2)c(F)c1F
InChIInChI=1S/C16H21F3N2/c17-13-6-5-12(14(18)15(13)19)16(11-3-1-2-4-11)21-9-7-20-8-10-21/h5-6,11,16,20H,1-4,7-10H2/t16-/m0/s1
InChIKeyHTFAZGCBJDVELR-INIZCTEOSA-N
MW298.35 g/mol
LogP3.24
Rot. Bonds3

About 1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine

1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine (PubChem CID 171164909) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine
PubChem CID171164909
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine
SMILESFc1ccc([C@H](C2CCCC2)N2CCNCC2)c(F)c1F
InChIInChI=1S/C16H21F3N2/c17-13-6-5-12(14(18)15(13)19)16(11-3-1-2-4-11)21-9-7-20-8-10-21/h5-6,11,16,20H,1-4,7-10H2/t16-/m0/s1
InChIKeyHTFAZGCBJDVELR-INIZCTEOSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.24
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)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171179692
1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride
CID 171290613
1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine
CID 171170017
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)-cyclohexyl-(2,3,6-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164678
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703
1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine
CID 171289598
2-amino-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol
CID 171298493
2-bromo-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol
CID 171300572
2-chloro-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol
CID 171297813

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine (CID 171164909) is 1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine is Fc1ccc([C@H](C2CCCC2)N2CCNCC2)c(F)c1F.
What is the InChIKey of 1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine?
The InChIKey is HTFAZGCBJDVELR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21F3N2/c17-13-6-5-12(14(18)15(13)19)16(11-3-1-2-4-11)21-9-7-20-8-10-21/h5-6,11,16,20H,1-4,7-10H2/t16-/m0/s1.
What are the key properties of 1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine?
1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine has a molecular weight of 298.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine is sourced from PubChem (CID 171164909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).