(R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol

C21H28N2O2 — CID 124751770

IUPAC(R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESCc1ccc(OCCN2CCC([C@@H](O)c3ccccn3)CC2)c(C)c1
InChIInChI=1S/C21H28N2O2/c1-16-6-7-20(17(2)15-16)25-14-13-23-11-8-18(9-12-23)21(24)19-5-3-4-10-22-19/h3-7,10,15,18,21,24H,8-9,11-14H2,1-2H3/t21-/m1/s1
InChIKeyHKDSARLCFQKTRT-OAQYLSRUSA-N
MW340.47 g/mol
LogP3.52
Rot. Bonds6

About (R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol

(R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol (PubChem CID 124751770) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol
PubChem CID124751770
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESCc1ccc(OCCN2CCC([C@@H](O)c3ccccn3)CC2)c(C)c1
InChIInChI=1S/C21H28N2O2/c1-16-6-7-20(17(2)15-16)25-14-13-23-11-8-18(9-12-23)21(24)19-5-3-4-10-22-19/h3-7,10,15,18,21,24H,8-9,11-14H2,1-2H3/t21-/m1/s1
InChIKeyHKDSARLCFQKTRT-OAQYLSRUSA-N
XLogP3.52
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-amine
CID 28802683
1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
CID 103658614
1-[2-(2,4-dimethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359832
3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 91832572
[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 91842140
[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 53193333
3-(2,4-dimethylphenoxy)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 86927635
(R)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-pyridin-2-ylmethanol
CID 39809044
(S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 124844163
4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138384771
3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 124750427
2-(2,4-dimethylphenoxy)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 134023893

Frequently Asked Questions

What is the IUPAC name of (R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of (R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol (CID 124751770) is (R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for (R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for (R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol is Cc1ccc(OCCN2CCC([C@@H](O)c3ccccn3)CC2)c(C)c1.
What is the InChIKey of (R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The InChIKey is HKDSARLCFQKTRT-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16-6-7-20(17(2)15-16)25-14-13-23-11-8-18(9-12-23)21(24)19-5-3-4-10-22-19/h3-7,10,15,18,21,24H,8-9,11-14H2,1-2H3/t21-/m1/s1.
What are the key properties of (R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol?
(R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol has a molecular weight of 340.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 124751770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).