4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol

C15H22N2O — CID 171285182

IUPAC4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
SMILESOc1ccc([C@@H](C2CCC2)N2CCNCC2)cc1
InChIInChI=1S/C15H22N2O/c18-14-6-4-13(5-7-14)15(12-2-1-3-12)17-10-8-16-9-11-17/h4-7,12,15-16,18H,1-3,8-11H2/t15-/m1/s1
InChIKeyFJSLVHKRCWYUKB-OAHLLOKOSA-N
MW246.35 g/mol
LogP2.14
Rot. Bonds3

About 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol

4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol (PubChem CID 171285182) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
PubChem CID171285182
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
SMILESOc1ccc([C@@H](C2CCC2)N2CCNCC2)cc1
InChIInChI=1S/C15H22N2O/c18-14-6-4-13(5-7-14)15(12-2-1-3-12)17-10-8-16-9-11-17/h4-7,12,15-16,18H,1-3,8-11H2/t15-/m1/s1
InChIKeyFJSLVHKRCWYUKB-OAHLLOKOSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol
CID 171287782
1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine
CID 95488327
1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine
CID 82301889
1-[(S)-cyclobutyl-(4-pyrrolidin-1-ylphenyl)methyl]piperazine;dihydrochloride
CID 171284553
1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176375
1-[(S)-cyclobutyl-[4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171178431
4-[(S)-cyclohexyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171272484
1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171281574
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile
CID 171285149
1-[(S)-cyclobutyl-(4-phenoxyphenyl)methyl]piperazine
CID 171279707

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol?
The IUPAC name of 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol (CID 171285182) is 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol?
The canonical SMILES for 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol is Oc1ccc([C@@H](C2CCC2)N2CCNCC2)cc1.
What is the InChIKey of 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol?
The InChIKey is FJSLVHKRCWYUKB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2O/c18-14-6-4-13(5-7-14)15(12-2-1-3-12)17-10-8-16-9-11-17/h4-7,12,15-16,18H,1-3,8-11H2/t15-/m1/s1.
What are the key properties of 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol?
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol has a molecular weight of 246.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol is sourced from PubChem (CID 171285182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).