4-(2-methylphenoxy)piperidine

C12H17NO — CID 3686170

IUPAC4-(2-methylphenoxy)piperidine
SMILESCc1ccccc1OC1CCNCC1
InChIInChI=1S/C12H17NO/c1-10-4-2-3-5-12(10)14-11-6-8-13-9-7-11/h2-5,11,13H,6-9H2,1H3
InChIKeyMLLZZLRYRWFFRQ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.13
Rot. Bonds2

About 4-(2-methylphenoxy)piperidine

4-(2-methylphenoxy)piperidine (PubChem CID 3686170) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(2-methylphenoxy)piperidine.

Molecular Properties

Compound Name4-(2-methylphenoxy)piperidine
PubChem CID3686170
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(2-methylphenoxy)piperidine
SMILESCc1ccccc1OC1CCNCC1
InChIInChI=1S/C12H17NO/c1-10-4-2-3-5-12(10)14-11-6-8-13-9-7-11/h2-5,11,13H,6-9H2,1H3
InChIKeyMLLZZLRYRWFFRQ-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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Related Compounds

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CID 1548968
Nisoxetine
CID 4500

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)piperidine?
The IUPAC name of 4-(2-methylphenoxy)piperidine (CID 3686170) is 4-(2-methylphenoxy)piperidine.
What is the SMILES notation for 4-(2-methylphenoxy)piperidine?
The canonical SMILES for 4-(2-methylphenoxy)piperidine is Cc1ccccc1OC1CCNCC1.
What is the InChIKey of 4-(2-methylphenoxy)piperidine?
The InChIKey is MLLZZLRYRWFFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-4-2-3-5-12(10)14-11-6-8-13-9-7-11/h2-5,11,13H,6-9H2,1H3.
What are the key properties of 4-(2-methylphenoxy)piperidine?
4-(2-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 4-(2-methylphenoxy)piperidine is sourced from PubChem (CID 3686170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).