4-phenylmethoxypiperidine

C12H17NO — CID 3157460

IUPAC4-phenylmethoxypiperidine
SMILESc1ccc(COC2CCNCC2)cc1
InChIInChI=1S/C12H17NO/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2
InChIKeyILJHWVWEYBJDDM-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.96
Rot. Bonds3

About 4-phenylmethoxypiperidine

4-phenylmethoxypiperidine (PubChem CID 3157460) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-phenylmethoxypiperidine.

Molecular Properties

Compound Name4-phenylmethoxypiperidine
PubChem CID3157460
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-phenylmethoxypiperidine
SMILESc1ccc(COC2CCNCC2)cc1
InChIInChI=1S/C12H17NO/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2
InChIKeyILJHWVWEYBJDDM-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxypiperidine?
The IUPAC name of 4-phenylmethoxypiperidine (CID 3157460) is 4-phenylmethoxypiperidine.
What is the SMILES notation for 4-phenylmethoxypiperidine?
The canonical SMILES for 4-phenylmethoxypiperidine is c1ccc(COC2CCNCC2)cc1.
What is the InChIKey of 4-phenylmethoxypiperidine?
The InChIKey is ILJHWVWEYBJDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2.
What are the key properties of 4-phenylmethoxypiperidine?
4-phenylmethoxypiperidine has a molecular weight of 191.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxypiperidine is sourced from PubChem (CID 3157460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).