2-amino-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol

C16H24FN3O — CID 171298493

IUPAC2-amino-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol
SMILESNc1c(F)ccc([C@H](C2CCCC2)N2CCNCC2)c1O
InChIInChI=1S/C16H24FN3O/c17-13-6-5-12(16(21)14(13)18)15(11-3-1-2-4-11)20-9-7-19-8-10-20/h5-6,11,15,19,21H,1-4,7-10,18H2/t15-/m0/s1
InChIKeyHHGPUWKKIXROMO-HNNXBMFYSA-N
MW293.39 g/mol
LogP2.25
Rot. Bonds3

About 2-amino-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol

2-amino-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol (PubChem CID 171298493) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-amino-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol.

Molecular Properties

Compound Name2-amino-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol
PubChem CID171298493
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name2-amino-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol
SMILESNc1c(F)ccc([C@H](C2CCCC2)N2CCNCC2)c1O
InChIInChI=1S/C16H24FN3O/c17-13-6-5-12(16(21)14(13)18)15(11-3-1-2-4-11)20-9-7-19-8-10-20/h5-6,11,15,19,21H,1-4,7-10,18H2/t15-/m0/s1
InChIKeyHHGPUWKKIXROMO-HNNXBMFYSA-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-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
6-[(S)-cyclobutyl(piperazin-1-yl)methyl]-2,3-difluorophenol;dihydrochloride
CID 171297572
2-chloro-6-[(R)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride
CID 171300291
2-chloro-6-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride
CID 171297812
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171168242
3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-6-fluoro-2-hydroxybenzonitrile
CID 171299770
1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine
CID 171164909
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzene-1,2,3-triol
CID 171286806
3-bromo-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol
CID 171299852
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171175032
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]benzene-1,2,3-triol;dihydrochloride
CID 171274179

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol?
The IUPAC name of 2-amino-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol (CID 171298493) is 2-amino-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol.
What is the SMILES notation for 2-amino-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol?
The canonical SMILES for 2-amino-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol is Nc1c(F)ccc([C@H](C2CCCC2)N2CCNCC2)c1O.
What is the InChIKey of 2-amino-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol?
The InChIKey is HHGPUWKKIXROMO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24FN3O/c17-13-6-5-12(16(21)14(13)18)15(11-3-1-2-4-11)20-9-7-19-8-10-20/h5-6,11,15,19,21H,1-4,7-10,18H2/t15-/m0/s1.
What are the key properties of 2-amino-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol?
2-amino-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-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-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol is sourced from PubChem (CID 171298493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).