3-[(2-methylphenoxy)methyl]piperidine

C13H19NO — CID 18524094

IUPAC3-[(2-methylphenoxy)methyl]piperidine
SMILESCc1ccccc1OCC1CCCNC1
InChIInChI=1S/C13H19NO/c1-11-5-2-3-7-13(11)15-10-12-6-4-8-14-9-12/h2-3,5,7,12,14H,4,6,8-10H2,1H3
InChIKeyZWNDUYVBAKNEOH-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.37
Rot. Bonds3

About 3-[(2-methylphenoxy)methyl]piperidine

3-[(2-methylphenoxy)methyl]piperidine (PubChem CID 18524094) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(2-methylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name3-[(2-methylphenoxy)methyl]piperidine
PubChem CID18524094
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[(2-methylphenoxy)methyl]piperidine
SMILESCc1ccccc1OCC1CCCNC1
InChIInChI=1S/C13H19NO/c1-11-5-2-3-7-13(11)15-10-12-6-4-8-14-9-12/h2-3,5,7,12,14H,4,6,8-10H2,1H3
InChIKeyZWNDUYVBAKNEOH-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine
CID 174631529
2-(2-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68595617
(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine
CID 92670023
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
2-(piperidin-3-ylmethoxy)phenol;hydrochloride
CID 162016330
3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine
CID 68596368
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
(3R)-3-[(2-phenylphenoxy)methyl]piperidine
CID 26190683
(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
CID 26190956
(3R)-3-[(2-propylphenoxy)methyl]piperidine
CID 86322759
3-[2-(2-methylphenoxy)propyl]piperidine
CID 105493581
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenoxy)methyl]piperidine?
The IUPAC name of 3-[(2-methylphenoxy)methyl]piperidine (CID 18524094) is 3-[(2-methylphenoxy)methyl]piperidine.
What is the SMILES notation for 3-[(2-methylphenoxy)methyl]piperidine?
The canonical SMILES for 3-[(2-methylphenoxy)methyl]piperidine is Cc1ccccc1OCC1CCCNC1.
What is the InChIKey of 3-[(2-methylphenoxy)methyl]piperidine?
The InChIKey is ZWNDUYVBAKNEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-5-2-3-7-13(11)15-10-12-6-4-8-14-9-12/h2-3,5,7,12,14H,4,6,8-10H2,1H3.
What are the key properties of 3-[(2-methylphenoxy)methyl]piperidine?
3-[(2-methylphenoxy)methyl]piperidine has a molecular weight of 205.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenoxy)methyl]piperidine is sourced from PubChem (CID 18524094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).