3-(3-methylphenoxy)piperidine

C12H17NO — CID 22309127

IUPAC3-(3-methylphenoxy)piperidine
SMILESCc1cccc(OC2CCCNC2)c1
InChIInChI=1S/C12H17NO/c1-10-4-2-5-11(8-10)14-12-6-3-7-13-9-12/h2,4-5,8,12-13H,3,6-7,9H2,1H3
InChIKeyBTLCVZXSRONKNN-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.13
Rot. Bonds2

About 3-(3-methylphenoxy)piperidine

3-(3-methylphenoxy)piperidine (PubChem CID 22309127) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(3-methylphenoxy)piperidine.

Molecular Properties

Compound Name3-(3-methylphenoxy)piperidine
PubChem CID22309127
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(3-methylphenoxy)piperidine
SMILESCc1cccc(OC2CCCNC2)c1
InChIInChI=1S/C12H17NO/c1-10-4-2-5-11(8-10)14-12-6-3-7-13-9-12/h2,4-5,8,12-13H,3,6-7,9H2,1H3
InChIKeyBTLCVZXSRONKNN-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)piperidine?
The IUPAC name of 3-(3-methylphenoxy)piperidine (CID 22309127) is 3-(3-methylphenoxy)piperidine.
What is the SMILES notation for 3-(3-methylphenoxy)piperidine?
The canonical SMILES for 3-(3-methylphenoxy)piperidine is Cc1cccc(OC2CCCNC2)c1.
What is the InChIKey of 3-(3-methylphenoxy)piperidine?
The InChIKey is BTLCVZXSRONKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-4-2-5-11(8-10)14-12-6-3-7-13-9-12/h2,4-5,8,12-13H,3,6-7,9H2,1H3.
What are the key properties of 3-(3-methylphenoxy)piperidine?
3-(3-methylphenoxy)piperidine has a molecular weight of 191.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)piperidine is sourced from PubChem (CID 22309127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).