3-[2-(2-methylphenoxy)propyl]piperidine

C15H23NO — CID 105493581

IUPAC3-[2-(2-methylphenoxy)propyl]piperidine
SMILESCc1ccccc1OC(C)CC1CCCNC1
InChIInChI=1S/C15H23NO/c1-12-6-3-4-8-15(12)17-13(2)10-14-7-5-9-16-11-14/h3-4,6,8,13-14,16H,5,7,9-11H2,1-2H3
InChIKeyGBYFSNRWAFVEFS-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.15
Rot. Bonds4

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

3-[2-(2-methylphenoxy)propyl]piperidine (PubChem CID 105493581) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[2-(2-methylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name3-[2-(2-methylphenoxy)propyl]piperidine
PubChem CID105493581
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-[2-(2-methylphenoxy)propyl]piperidine
SMILESCc1ccccc1OC(C)CC1CCCNC1
InChIInChI=1S/C15H23NO/c1-12-6-3-4-8-15(12)17-13(2)10-14-7-5-9-16-11-14/h3-4,6,8,13-14,16H,5,7,9-11H2,1-2H3
InChIKeyGBYFSNRWAFVEFS-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
3-(2-phenoxypropyl)pyrrolidine
CID 105458119
tert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine
CID 174631529
1-(2-methylphenyl)-2-piperidin-3-ylethanol
CID 84685007
N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637808
3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine
CID 68596368
2-(2-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68595617
3-[2-(4-fluorophenoxy)propyl]pyrrolidine
CID 105480864
3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride
CID 46735612
N-methyl-2-(2-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929851
(3S)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]piperidine
CID 28750110
6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine
CID 68596131

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylphenoxy)propyl]piperidine?
The IUPAC name of 3-[2-(2-methylphenoxy)propyl]piperidine (CID 105493581) is 3-[2-(2-methylphenoxy)propyl]piperidine.
What is the SMILES notation for 3-[2-(2-methylphenoxy)propyl]piperidine?
The canonical SMILES for 3-[2-(2-methylphenoxy)propyl]piperidine is Cc1ccccc1OC(C)CC1CCCNC1.
What is the InChIKey of 3-[2-(2-methylphenoxy)propyl]piperidine?
The InChIKey is GBYFSNRWAFVEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-6-3-4-8-15(12)17-13(2)10-14-7-5-9-16-11-14/h3-4,6,8,13-14,16H,5,7,9-11H2,1-2H3.
What are the key properties of 3-[2-(2-methylphenoxy)propyl]piperidine?
3-[2-(2-methylphenoxy)propyl]piperidine has a molecular weight of 233.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenoxy)propyl]piperidine is sourced from PubChem (CID 105493581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).