2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride

C15H22ClFN2O — CID 171175033

IUPAC2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride
SMILESCl.Oc1c(F)cccc1[C@@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C15H21FN2O.ClH/c16-13-6-2-5-12(15(13)19)14(11-3-1-4-11)18-9-7-17-8-10-18;/h2,5-6,11,14,17,19H,1,3-4,7-10H2;1H/t14-;/m1./s1
InChIKeyYYSTVTVLMYLEFB-PFEQFJNWSA-N
MW300.80 g/mol
LogP2.70
Rot. Bonds3

About 2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride

2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride (PubChem CID 171175033) has the molecular formula C15H22ClFN2O and a molecular weight of 300.80 g/mol. Its IUPAC name is 2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride
PubChem CID171175033
Molecular FormulaC15H22ClFN2O
Molecular Weight300.80 g/mol
Exact Mass300.14
IUPAC Name2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride
SMILESCl.Oc1c(F)cccc1[C@@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C15H21FN2O.ClH/c16-13-6-2-5-12(15(13)19)14(11-3-1-4-11)18-9-7-17-8-10-18;/h2,5-6,11,14,17,19H,1,3-4,7-10H2;1H/t14-;/m1./s1
InChIKeyYYSTVTVLMYLEFB-PFEQFJNWSA-N
XLogP2.70
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171175032
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171168242
1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride
CID 171175923
3-[(R)-cyclobutyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171287317
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
1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine
CID 171179290
2-bromo-6-[(S)-cyclohexyl(piperazin-1-yl)methyl]phenol
CID 171275973
3-bromo-6-[(S)-cyclobutyl(piperazin-1-yl)methyl]-2-fluorophenol;dihydrochloride
CID 171297372
1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171172374
1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine
CID 171289598

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride?
The IUPAC name of 2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride (CID 171175033) is 2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride.
What is the SMILES notation for 2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride?
The canonical SMILES for 2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride is Cl.Oc1c(F)cccc1[C@@H](C1CCC1)N1CCNCC1.
What is the InChIKey of 2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride?
The InChIKey is YYSTVTVLMYLEFB-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H21FN2O.ClH/c16-13-6-2-5-12(15(13)19)14(11-3-1-4-11)18-9-7-17-8-10-18;/h2,5-6,11,14,17,19H,1,3-4,7-10H2;1H/t14-;/m1./s1.
What are the key properties of 2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride?
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride has a molecular weight of 300.80 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride is sourced from PubChem (CID 171175033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).