4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol

C19H30N2O — CID 171290267

IUPAC4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol
SMILESCc1cc([C@@H](C2CCCCC2)N2CCNCC2)cc(C)c1O
InChIInChI=1S/C19H30N2O/c1-14-12-17(13-15(2)19(14)22)18(16-6-4-3-5-7-16)21-10-8-20-9-11-21/h12-13,16,18,20,22H,3-11H2,1-2H3/t18-/m1/s1
InChIKeyXVUOUVMOFJIHDJ-GOSISDBHSA-N
MW302.46 g/mol
LogP3.54
Rot. Bonds3

About 4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol

4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol (PubChem CID 171290267) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol
PubChem CID171290267
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol
SMILESCc1cc([C@@H](C2CCCCC2)N2CCNCC2)cc(C)c1O
InChIInChI=1S/C19H30N2O/c1-14-12-17(13-15(2)19(14)22)18(16-6-4-3-5-7-16)21-10-8-20-9-11-21/h12-13,16,18,20,22H,3-11H2,1-2H3/t18-/m1/s1
InChIKeyXVUOUVMOFJIHDJ-GOSISDBHSA-N
XLogP3.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine
CID 171288154
2,6-ditert-butyl-4-[(S)-cyclohexyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272272
2,6-ditert-butyl-4-[(S)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272270
4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2,6-diiodophenol
CID 171283871
1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine
CID 171295207
6-amino-2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-3-methylphenol
CID 171298055
4-[(S)-cyclohexyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171272484
1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine
CID 95468433
1-[(S)-cyclohexyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 171273636
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
1-[(S)-cyclohexyl-(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]piperazine
CID 171283012
5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride
CID 171286479

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol (CID 171290267) is 4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol is Cc1cc([C@@H](C2CCCCC2)N2CCNCC2)cc(C)c1O.
What is the InChIKey of 4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol?
The InChIKey is XVUOUVMOFJIHDJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H30N2O/c1-14-12-17(13-15(2)19(14)22)18(16-6-4-3-5-7-16)21-10-8-20-9-11-21/h12-13,16,18,20,22H,3-11H2,1-2H3/t18-/m1/s1.
What are the key properties of 4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol?
4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol has a molecular weight of 302.46 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 171290267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).