1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine

C16H21F3N2 — CID 171170017

IUPAC1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine
SMILESFc1ccc(F)c([C@@H](C2CCCC2)N2CCNCC2)c1F
InChIInChI=1S/C16H21F3N2/c17-12-5-6-13(18)15(19)14(12)16(11-3-1-2-4-11)21-9-7-20-8-10-21/h5-6,11,16,20H,1-4,7-10H2/t16-/m1/s1
InChIKeySUTBGGWXWRYXHK-MRXNPFEDSA-N
MW298.35 g/mol
LogP3.24
Rot. Bonds3

About 1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine

1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine (PubChem CID 171170017) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine
PubChem CID171170017
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine
SMILESFc1ccc(F)c([C@@H](C2CCCC2)N2CCNCC2)c1F
InChIInChI=1S/C16H21F3N2/c17-12-5-6-13(18)15(19)14(12)16(11-3-1-2-4-11)21-9-7-20-8-10-21/h5-6,11,16,20H,1-4,7-10H2/t16-/m1/s1
InChIKeySUTBGGWXWRYXHK-MRXNPFEDSA-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_1', 'substructure': 'N/A'}

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Related Compounds

1-[(S)-cyclohexyl-(2,3,6-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164678
1-[(S)-cyclopropyl-(2,3,6-trifluorophenyl)methyl]piperazine
CID 171277670
1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride
CID 171166678
1-[(R)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride
CID 171171848
1-[(S)-(3-bromo-2,6-difluorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171277699
1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine
CID 171171500
1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171293020
1-[(S)-cyclopentyl-(2,6-difluoro-3-methoxyphenyl)methyl]piperazine
CID 171167774
1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171176993
1-[(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171176169
1-[(S)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171180317
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-3,6-difluorophenol;dihydrochloride
CID 171300095

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine (CID 171170017) is 1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine is Fc1ccc(F)c([C@@H](C2CCCC2)N2CCNCC2)c1F.
What is the InChIKey of 1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine?
The InChIKey is SUTBGGWXWRYXHK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21F3N2/c17-12-5-6-13(18)15(19)14(12)16(11-3-1-2-4-11)21-9-7-20-8-10-21/h5-6,11,16,20H,1-4,7-10H2/t16-/m1/s1.
What are the key properties of 1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine?
1-[(R)-cyclopentyl-(2,3,6-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-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine is sourced from PubChem (CID 171170017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).