1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine

C17H25FN2O — CID 171168899

IUPAC1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine
SMILESCOc1c(F)cccc1[C@@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C17H25FN2O/c1-21-17-14(7-4-8-15(17)18)16(13-5-2-3-6-13)20-11-9-19-10-12-20/h4,7-8,13,16,19H,2-3,5-6,9-12H2,1H3/t16-/m1/s1
InChIKeyBELMGVDCMOFCNW-MRXNPFEDSA-N
MW292.40 g/mol
LogP2.97
Rot. Bonds4

About 1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine

1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine (PubChem CID 171168899) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine
PubChem CID171168899
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine
SMILESCOc1c(F)cccc1[C@@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C17H25FN2O/c1-21-17-14(7-4-8-15(17)18)16(13-5-2-3-6-13)20-11-9-19-10-12-20/h4,7-8,13,16,19H,2-3,5-6,9-12H2,1H3/t16-/m1/s1
InChIKeyBELMGVDCMOFCNW-MRXNPFEDSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine
CID 171273356
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171168242
1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride
CID 171175923
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine
CID 171168874
1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171273819
1-[(S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 171167021
1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171163509
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171175032
1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine
CID 171276795
1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171172374
1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine
CID 171289598
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride
CID 171175033

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine (CID 171168899) is 1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine is COc1c(F)cccc1[C@@H](C1CCCC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine?
The InChIKey is BELMGVDCMOFCNW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-21-17-14(7-4-8-15(17)18)16(13-5-2-3-6-13)20-11-9-19-10-12-20/h4,7-8,13,16,19H,2-3,5-6,9-12H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine?
1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine has a molecular weight of 292.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 171168899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).