4-[1-[(2R,4R)-1,2-dimethylpiperidin-4-yl]imidazol-2-yl]phenol

C16H21N3O — CID 155493826

IUPAC4-[1-[(2R,4R)-1,2-dimethylpiperidin-4-yl]imidazol-2-yl]phenol
SMILESC[C@@H]1C[C@H](n2ccnc2-c2ccc(O)cc2)CCN1C
InChIInChI=1S/C16H21N3O/c1-12-11-14(7-9-18(12)2)19-10-8-17-16(19)13-3-5-15(20)6-4-13/h3-6,8,10,12,14,20H,7,9,11H2,1-2H3/t12-,14-/m1/s1
InChIKeyXEJZCMSLKHZYDZ-TZMCWYRMSA-N
MW271.36 g/mol
LogP2.91
Rot. Bonds2

About 4-[1-[(2R,4R)-1,2-dimethylpiperidin-4-yl]imidazol-2-yl]phenol

4-[1-[(2R,4R)-1,2-dimethylpiperidin-4-yl]imidazol-2-yl]phenol (PubChem CID 155493826) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[1-[(2R,4R)-1,2-dimethylpiperidin-4-yl]imidazol-2-yl]phenol.

Molecular Properties

Compound Name4-[1-[(2R,4R)-1,2-dimethylpiperidin-4-yl]imidazol-2-yl]phenol
PubChem CID155493826
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[1-[(2R,4R)-1,2-dimethylpiperidin-4-yl]imidazol-2-yl]phenol
SMILESC[C@@H]1C[C@H](n2ccnc2-c2ccc(O)cc2)CCN1C
InChIInChI=1S/C16H21N3O/c1-12-11-14(7-9-18(12)2)19-10-8-17-16(19)13-3-5-15(20)6-4-13/h3-6,8,10,12,14,20H,7,9,11H2,1-2H3/t12-,14-/m1/s1
InChIKeyXEJZCMSLKHZYDZ-TZMCWYRMSA-N
XLogP2.91
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-dimethylpiperidin-4-yl)-N-methylimidazol-2-amine
CID 106578377
4-(1-cyclopent-2-en-1-ylimidazol-2-yl)phenol
CID 155912647
2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole
CID 79787135
trans-(1R,3R)-3-[2-(4-methylsulfonylphenyl)imidazol-1-yl]cyclohexan-1-amine
CID 154566008
4-[2-(4-bromophenyl)imidazol-1-yl]piperidine
CID 82559669
(2R)-1-[4-[2-(4-chlorophenyl)imidazol-1-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropane-1,2-diol
CID 162595839
4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine
CID 56863611
3-(1,2-dimethylpiperidin-4-yl)-1H-imidazol-2-one
CID 103125850
1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole
CID 154820358
cis-(1S,3R)-3-[2-(4-butylphenyl)imidazol-1-yl]cyclohexan-1-ol;formic acid
CID 154919518
4-[[2-[4-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenol
CID 82560811
(2R)-1-[4-[2-(4-chlorophenyl)imidazol-1-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methyl-2-nitrosopropan-1-one
CID 118182687

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R,4R)-1,2-dimethylpiperidin-4-yl]imidazol-2-yl]phenol?
The IUPAC name of 4-[1-[(2R,4R)-1,2-dimethylpiperidin-4-yl]imidazol-2-yl]phenol (CID 155493826) is 4-[1-[(2R,4R)-1,2-dimethylpiperidin-4-yl]imidazol-2-yl]phenol.
What is the SMILES notation for 4-[1-[(2R,4R)-1,2-dimethylpiperidin-4-yl]imidazol-2-yl]phenol?
The canonical SMILES for 4-[1-[(2R,4R)-1,2-dimethylpiperidin-4-yl]imidazol-2-yl]phenol is C[C@@H]1C[C@H](n2ccnc2-c2ccc(O)cc2)CCN1C.
What is the InChIKey of 4-[1-[(2R,4R)-1,2-dimethylpiperidin-4-yl]imidazol-2-yl]phenol?
The InChIKey is XEJZCMSLKHZYDZ-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-11-14(7-9-18(12)2)19-10-8-17-16(19)13-3-5-15(20)6-4-13/h3-6,8,10,12,14,20H,7,9,11H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of 4-[1-[(2R,4R)-1,2-dimethylpiperidin-4-yl]imidazol-2-yl]phenol?
4-[1-[(2R,4R)-1,2-dimethylpiperidin-4-yl]imidazol-2-yl]phenol has a molecular weight of 271.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2R,4R)-1,2-dimethylpiperidin-4-yl]imidazol-2-yl]phenol is sourced from PubChem (CID 155493826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).