3-(3,4,5-trimethylphenoxy)piperidine

C14H21NO — CID 91468136

IUPAC3-(3,4,5-trimethylphenoxy)piperidine
SMILESCc1cc(OC2CCCNC2)cc(C)c1C
InChIInChI=1S/C14H21NO/c1-10-7-14(8-11(2)12(10)3)16-13-5-4-6-15-9-13/h7-8,13,15H,4-6,9H2,1-3H3
InChIKeyAXDUVKCOOJBMQF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.74
Rot. Bonds2

About 3-(3,4,5-trimethylphenoxy)piperidine

3-(3,4,5-trimethylphenoxy)piperidine (PubChem CID 91468136) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(3,4,5-trimethylphenoxy)piperidine.

Molecular Properties

Compound Name3-(3,4,5-trimethylphenoxy)piperidine
PubChem CID91468136
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(3,4,5-trimethylphenoxy)piperidine
SMILESCc1cc(OC2CCCNC2)cc(C)c1C
InChIInChI=1S/C14H21NO/c1-10-7-14(8-11(2)12(10)3)16-13-5-4-6-15-9-13/h7-8,13,15H,4-6,9H2,1-3H3
InChIKeyAXDUVKCOOJBMQF-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3,4-dimethylphenoxy)piperidine
CID 26191417
3-(3,5-dimethylphenoxy)azepane
CID 82019169
(3R)-3-(3,5-difluorophenoxy)piperidine
CID 94586724
(3S)-3-(3,5-dimethylphenoxy)pyrrolidine
CID 26192104
(3R)-3-phenoxypiperidine
CID 42553363
3-(3,5-dimethylphenoxy)pyrrolidine;hydrochloride
CID 46735722
3-(3-methyl-5-nitrophenoxy)piperidine
CID 112649701
2-methyl-5-piperidin-3-yloxypyridine
CID 18712955
(3R)-3-(2-bromo-4-chloro-3,5-dimethylphenoxy)piperidine
CID 86321988
4,6-dimethyl-2-piperidin-3-yloxypyrimidine;hydrochloride
CID 71638406
(3S)-3-(4-bromo-2-methylphenoxy)piperidine
CID 26191633
(1S,5R)-3-(3,4,5-trimethylphenoxy)-9-azabicyclo[3.3.1]nonane
CID 58878572

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trimethylphenoxy)piperidine?
The IUPAC name of 3-(3,4,5-trimethylphenoxy)piperidine (CID 91468136) is 3-(3,4,5-trimethylphenoxy)piperidine.
What is the SMILES notation for 3-(3,4,5-trimethylphenoxy)piperidine?
The canonical SMILES for 3-(3,4,5-trimethylphenoxy)piperidine is Cc1cc(OC2CCCNC2)cc(C)c1C.
What is the InChIKey of 3-(3,4,5-trimethylphenoxy)piperidine?
The InChIKey is AXDUVKCOOJBMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-7-14(8-11(2)12(10)3)16-13-5-4-6-15-9-13/h7-8,13,15H,4-6,9H2,1-3H3.
What are the key properties of 3-(3,4,5-trimethylphenoxy)piperidine?
3-(3,4,5-trimethylphenoxy)piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trimethylphenoxy)piperidine is sourced from PubChem (CID 91468136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).