3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol

C13H19NO — CID 11052767

IUPAC3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol
SMILESC[C@H]1CNCC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C13H19NO/c1-10-9-14-7-6-13(10,2)11-4-3-5-12(15)8-11/h3-5,8,10,14-15H,6-7,9H2,1-2H3/t10-,13+/m0/s1
InChIKeyHXZDAOSDNCHKFE-GXFFZTMASA-N
MW205.30 g/mol
LogP2.28
Rot. Bonds1

About 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol

3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol (PubChem CID 11052767) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol
PubChem CID11052767
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol
SMILESC[C@H]1CNCC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C13H19NO/c1-10-9-14-7-6-13(10,2)11-4-3-5-12(15)8-11/h3-5,8,10,14-15H,6-7,9H2,1-2H3/t10-,13+/m0/s1
InChIKeyHXZDAOSDNCHKFE-GXFFZTMASA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3R,4S)-3,4-dimethylpiperidin-4-yl]phenol;phenol
CID 67900798
(4S)-3,4-dimethyl-4-phenylpiperidine
CID 69326944
3-(3,4-dimethylpiperidin-4-yl)benzoic acid
CID 66952349
3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine
CID 22707943
bis(carbon dioxide);3-[(3R,4R)-3,4-dimethyl-1-[(Z)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]phenol;3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol;methane;[(Z)-2-methylbut-1-enyl]benzene;hydrochloride
CID 162119045
N-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide
CID 70182403
3-(2-ethyl-1,4-dimethylcyclohexyl)phenol
CID 123852925
3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol
CID 15670123
3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol
CID 10423544
4-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butan-2-one
CID 58583518
3-[(8S)-8-iodo-7-methyl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol
CID 70316539
3-(10a-methyl-1,2,3,4,5,10-hexahydrobenzo[g]isoquinolin-4a-yl)phenol
CID 22475249

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol?
The IUPAC name of 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol (CID 11052767) is 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol.
What is the SMILES notation for 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol?
The canonical SMILES for 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol is C[C@H]1CNCC[C@@]1(C)c1cccc(O)c1.
What is the InChIKey of 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol?
The InChIKey is HXZDAOSDNCHKFE-GXFFZTMASA-N. The full InChI is InChI=1S/C13H19NO/c1-10-9-14-7-6-13(10,2)11-4-3-5-12(15)8-11/h3-5,8,10,14-15H,6-7,9H2,1-2H3/t10-,13+/m0/s1.
What are the key properties of 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol?
3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol is sourced from PubChem (CID 11052767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).