1-phenylmethoxypiperidine

C12H17NO — CID 18458358

IUPAC1-phenylmethoxypiperidine
SMILESc1ccc(CON2CCCCC2)cc1
InChIInChI=1S/C12H17NO/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyGJUMZNFPQSOVCL-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.60
Rot. Bonds3

About 1-phenylmethoxypiperidine

1-phenylmethoxypiperidine (PubChem CID 18458358) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-phenylmethoxypiperidine.

Molecular Properties

Compound Name1-phenylmethoxypiperidine
PubChem CID18458358
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-phenylmethoxypiperidine
SMILESc1ccc(CON2CCCCC2)cc1
InChIInChI=1S/C12H17NO/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyGJUMZNFPQSOVCL-UHFFFAOYSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxypiperidine?
The IUPAC name of 1-phenylmethoxypiperidine (CID 18458358) is 1-phenylmethoxypiperidine.
What is the SMILES notation for 1-phenylmethoxypiperidine?
The canonical SMILES for 1-phenylmethoxypiperidine is c1ccc(CON2CCCCC2)cc1.
What is the InChIKey of 1-phenylmethoxypiperidine?
The InChIKey is GJUMZNFPQSOVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2.
What are the key properties of 1-phenylmethoxypiperidine?
1-phenylmethoxypiperidine has a molecular weight of 191.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxypiperidine is sourced from PubChem (CID 18458358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).