2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol

C17H25FN2O — CID 171168242

IUPAC2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol
SMILESOc1c(F)cccc1[C@@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C17H25FN2O/c18-15-8-4-7-14(17(15)21)16(13-5-2-1-3-6-13)20-11-9-19-10-12-20/h4,7-8,13,16,19,21H,1-3,5-6,9-12H2/t16-/m1/s1
InChIKeySAXGILUNFBNAHD-MRXNPFEDSA-N
MW292.40 g/mol
LogP3.06
Rot. Bonds3

About 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol

2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol (PubChem CID 171168242) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol
PubChem CID171168242
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol
SMILESOc1c(F)cccc1[C@@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C17H25FN2O/c18-15-8-4-7-14(17(15)21)16(13-5-2-1-3-6-13)20-11-9-19-10-12-20/h4,7-8,13,16,19,21H,1-3,5-6,9-12H2/t16-/m1/s1
InChIKeySAXGILUNFBNAHD-MRXNPFEDSA-N
XLogP3.06
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.06
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)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride
CID 171175033
2-bromo-6-[(S)-cyclohexyl(piperazin-1-yl)methyl]phenol
CID 171275973
3-[(R)-cyclobutyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171287317
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-3,6-difluorophenol;dihydrochloride
CID 171300095
1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride
CID 171175923
2-amino-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol
CID 171298493
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
1-[(S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 171167021
1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171172374
1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171168899

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol?
The IUPAC name of 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol (CID 171168242) is 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol.
What is the SMILES notation for 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol?
The canonical SMILES for 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol is Oc1c(F)cccc1[C@@H](C1CCCCC1)N1CCNCC1.
What is the InChIKey of 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol?
The InChIKey is SAXGILUNFBNAHD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25FN2O/c18-15-8-4-7-14(17(15)21)16(13-5-2-1-3-6-13)20-11-9-19-10-12-20/h4,7-8,13,16,19,21H,1-3,5-6,9-12H2/t16-/m1/s1.
What are the key properties of 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol?
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol has a molecular weight of 292.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol is sourced from PubChem (CID 171168242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).