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

C15H23NO — CID 105493585

IUPAC2-[2-(3-methylphenoxy)propyl]piperidine
SMILESCc1cccc(OC(C)CC2CCCCN2)c1
InChIInChI=1S/C15H23NO/c1-12-6-5-8-15(10-12)17-13(2)11-14-7-3-4-9-16-14/h5-6,8,10,13-14,16H,3-4,7,9,11H2,1-2H3
InChIKeyXAXLHKYSSFPOLS-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.29
Rot. Bonds4

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

2-[2-(3-methylphenoxy)propyl]piperidine (PubChem CID 105493585) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[2-(3-methylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name2-[2-(3-methylphenoxy)propyl]piperidine
PubChem CID105493585
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[2-(3-methylphenoxy)propyl]piperidine
SMILESCc1cccc(OC(C)CC2CCCCN2)c1
InChIInChI=1S/C15H23NO/c1-12-6-5-8-15(10-12)17-13(2)11-14-7-3-4-9-16-14/h5-6,8,10,13-14,16H,3-4,7,9,11H2,1-2H3
InChIKeyXAXLHKYSSFPOLS-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-piperidin-2-ylpropan-2-yloxy)phenol
CID 105496690
N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540182
2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440
2-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493505
N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335744
1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide
CID 119819909
2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine
CID 117125038
2-[2-(3-methylphenyl)ethyl]azepane
CID 62544067
3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one
CID 116563717
2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539126
2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol
CID 64802296

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenoxy)propyl]piperidine?
The IUPAC name of 2-[2-(3-methylphenoxy)propyl]piperidine (CID 105493585) is 2-[2-(3-methylphenoxy)propyl]piperidine.
What is the SMILES notation for 2-[2-(3-methylphenoxy)propyl]piperidine?
The canonical SMILES for 2-[2-(3-methylphenoxy)propyl]piperidine is Cc1cccc(OC(C)CC2CCCCN2)c1.
What is the InChIKey of 2-[2-(3-methylphenoxy)propyl]piperidine?
The InChIKey is XAXLHKYSSFPOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-6-5-8-15(10-12)17-13(2)11-14-7-3-4-9-16-14/h5-6,8,10,13-14,16H,3-4,7,9,11H2,1-2H3.
What are the key properties of 2-[2-(3-methylphenoxy)propyl]piperidine?
2-[2-(3-methylphenoxy)propyl]piperidine has a molecular weight of 233.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenoxy)propyl]piperidine is sourced from PubChem (CID 105493585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).