2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride

C17H27Cl2FN2O2 — CID 171302213

IUPAC2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride
SMILESCOc1cc(F)cc([C@@H](C2CCCC2)N2CCNCC2)c1O.Cl.Cl
InChIInChI=1S/C17H25FN2O2.2ClH/c1-22-15-11-13(18)10-14(17(15)21)16(12-4-2-3-5-12)20-8-6-19-7-9-20;;/h10-12,16,19,21H,2-9H2,1H3;2*1H/t16-;;/m1../s1
InChIKeyKBURKBBONZNLCX-GGMCWBHBSA-N
MW381.32 g/mol
LogP3.52
Rot. Bonds4

About 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride

2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride (PubChem CID 171302213) has the molecular formula C17H27Cl2FN2O2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride.

Molecular Properties

Compound Name2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride
PubChem CID171302213
Molecular FormulaC17H27Cl2FN2O2
Molecular Weight381.32 g/mol
Exact Mass380.14
IUPAC Name2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride
SMILESCOc1cc(F)cc([C@@H](C2CCCC2)N2CCNCC2)c1O.Cl.Cl
InChIInChI=1S/C17H25FN2O2.2ClH/c1-22-15-11-13(18)10-14(17(15)21)16(12-4-2-3-5-12)20-8-6-19-7-9-20;;/h10-12,16,19,21H,2-9H2,1H3;2*1H/t16-;;/m1../s1
InChIKeyKBURKBBONZNLCX-GGMCWBHBSA-N
XLogP3.52
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171170170
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179588
2-amino-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluorophenol
CID 171300852
2-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]-4-fluoro-6-methoxyphenol;dihydrochloride
CID 171299723
2,3-dibromo-4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-6-methoxyphenol
CID 171296305
2-amino-6-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-fluorophenol;dihydrochloride
CID 171300851
1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171176216
2-bromo-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol
CID 171300614
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171179587
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol
CID 171296794
2,3-dibromo-4-[(S)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxyphenol
CID 171283687
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride
CID 171287129

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride?
The IUPAC name of 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride (CID 171302213) is 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride.
What is the SMILES notation for 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride?
The canonical SMILES for 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride is COc1cc(F)cc([C@@H](C2CCCC2)N2CCNCC2)c1O.Cl.Cl.
What is the InChIKey of 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride?
The InChIKey is KBURKBBONZNLCX-GGMCWBHBSA-N. The full InChI is InChI=1S/C17H25FN2O2.2ClH/c1-22-15-11-13(18)10-14(17(15)21)16(12-4-2-3-5-12)20-8-6-19-7-9-20;;/h10-12,16,19,21H,2-9H2,1H3;2*1H/t16-;;/m1../s1.
What are the key properties of 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride?
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride has a molecular weight of 381.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride is sourced from PubChem (CID 171302213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).