2-amino-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluorophenol

C16H24FN3O — CID 171300852

IUPAC2-amino-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluorophenol
SMILESNc1cc(F)cc([C@@H](C2CCCC2)N2CCNCC2)c1O
InChIInChI=1S/C16H24FN3O/c17-12-9-13(16(21)14(18)10-12)15(11-3-1-2-4-11)20-7-5-19-6-8-20/h9-11,15,19,21H,1-8,18H2/t15-/m1/s1
InChIKeyGZVPKDQWTKKZKZ-OAHLLOKOSA-N
MW293.39 g/mol
LogP2.25
Rot. Bonds3

About 2-amino-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluorophenol

2-amino-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluorophenol (PubChem CID 171300852) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-amino-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-amino-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluorophenol
PubChem CID171300852
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name2-amino-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluorophenol
SMILESNc1cc(F)cc([C@@H](C2CCCC2)N2CCNCC2)c1O
InChIInChI=1S/C16H24FN3O/c17-12-9-13(16(21)14(18)10-12)15(11-3-1-2-4-11)20-7-5-19-6-8-20/h9-11,15,19,21H,1-8,18H2/t15-/m1/s1
InChIKeyGZVPKDQWTKKZKZ-OAHLLOKOSA-N
XLogP2.25
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-fluorophenol;dihydrochloride
CID 171300851
2-amino-4-fluoro-6-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol
CID 171298379
2-bromo-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol
CID 171300614
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride
CID 171302213
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride
CID 171168246
2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-4-fluoro-6-nitrophenol
CID 171299290
2-amino-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol
CID 171298493
3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-5-fluoro-4-hydroxybenzonitrile
CID 171298812
1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171164593
2-amino-4-fluoro-6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171298366
2-bromo-4-fluoro-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol
CID 171300618
1-[(R)-(2-bromo-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171169175

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluorophenol?
The IUPAC name of 2-amino-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluorophenol (CID 171300852) is 2-amino-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluorophenol.
What is the SMILES notation for 2-amino-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluorophenol?
The canonical SMILES for 2-amino-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluorophenol is Nc1cc(F)cc([C@@H](C2CCCC2)N2CCNCC2)c1O.
What is the InChIKey of 2-amino-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluorophenol?
The InChIKey is GZVPKDQWTKKZKZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24FN3O/c17-12-9-13(16(21)14(18)10-12)15(11-3-1-2-4-11)20-7-5-19-6-8-20/h9-11,15,19,21H,1-8,18H2/t15-/m1/s1.
What are the key properties of 2-amino-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluorophenol?
2-amino-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluorophenol has a molecular weight of 293.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluorophenol is sourced from PubChem (CID 171300852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).