(3R)-3-(3,4-dimethylphenoxy)piperidine

C13H19NO — CID 26191417

IUPAC(3R)-3-(3,4-dimethylphenoxy)piperidine
SMILESCc1ccc(O[C@@H]2CCCNC2)cc1C
InChIInChI=1S/C13H19NO/c1-10-5-6-12(8-11(10)2)15-13-4-3-7-14-9-13/h5-6,8,13-14H,3-4,7,9H2,1-2H3/t13-/m1/s1
InChIKeyZOAYYILFLICKSD-CYBMUJFWSA-N
MW205.30 g/mol
LogP2.43
Rot. Bonds2

About (3R)-3-(3,4-dimethylphenoxy)piperidine

(3R)-3-(3,4-dimethylphenoxy)piperidine (PubChem CID 26191417) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3R)-3-(3,4-dimethylphenoxy)piperidine.

Molecular Properties

Compound Name(3R)-3-(3,4-dimethylphenoxy)piperidine
PubChem CID26191417
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3R)-3-(3,4-dimethylphenoxy)piperidine
SMILESCc1ccc(O[C@@H]2CCCNC2)cc1C
InChIInChI=1S/C13H19NO/c1-10-5-6-12(8-11(10)2)15-13-4-3-7-14-9-13/h5-6,8,13-14H,3-4,7,9H2,1-2H3/t13-/m1/s1
InChIKeyZOAYYILFLICKSD-CYBMUJFWSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4,5-trimethylphenoxy)piperidine
CID 91468136
(3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine
CID 86314613
2-methyl-5-piperidin-3-yloxypyridine
CID 18712955
3-(3,5-dimethylphenoxy)azepane
CID 82019169
(3R)-3-phenoxypiperidine
CID 42553363
2-fluoro-4-piperidin-3-yloxyaniline
CID 89089134
2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole
CID 84695591
3-(4-tert-butylphenoxy)piperidine;molecular hydrogen
CID 144656061
3-(3-propan-2-ylphenoxy)piperidine
CID 45075406
7-piperidin-3-yloxychromen-2-one
CID 46735671
3-(4-propoxyphenoxy)piperidine
CID 53409332
(3R)-3-(3,5-difluorophenoxy)piperidine
CID 94586724

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-dimethylphenoxy)piperidine?
The IUPAC name of (3R)-3-(3,4-dimethylphenoxy)piperidine (CID 26191417) is (3R)-3-(3,4-dimethylphenoxy)piperidine.
What is the SMILES notation for (3R)-3-(3,4-dimethylphenoxy)piperidine?
The canonical SMILES for (3R)-3-(3,4-dimethylphenoxy)piperidine is Cc1ccc(O[C@@H]2CCCNC2)cc1C.
What is the InChIKey of (3R)-3-(3,4-dimethylphenoxy)piperidine?
The InChIKey is ZOAYYILFLICKSD-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-5-6-12(8-11(10)2)15-13-4-3-7-14-9-13/h5-6,8,13-14H,3-4,7,9H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-3-(3,4-dimethylphenoxy)piperidine?
(3R)-3-(3,4-dimethylphenoxy)piperidine has a molecular weight of 205.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,4-dimethylphenoxy)piperidine is sourced from PubChem (CID 26191417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).