1-oxido-4-phenylmethoxypiperidin-1-ium

C12H17NO2 — CID 6374335

IUPAC1-oxido-4-phenylmethoxypiperidin-1-ium
SMILES[O-][NH+]1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C12H17NO2/c14-13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKeyYZULUYYBNPPPPJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.75
Rot. Bonds3

About 1-oxido-4-phenylmethoxypiperidin-1-ium

1-oxido-4-phenylmethoxypiperidin-1-ium (PubChem CID 6374335) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-oxido-4-phenylmethoxypiperidin-1-ium.

Molecular Properties

Compound Name1-oxido-4-phenylmethoxypiperidin-1-ium
PubChem CID6374335
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-oxido-4-phenylmethoxypiperidin-1-ium
SMILES[O-][NH+]1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C12H17NO2/c14-13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKeyYZULUYYBNPPPPJ-UHFFFAOYSA-N
XLogP0.75
TPSA36.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azane;cyclopentyloxymethylbenzene
CID 69411306
4-phenylmethoxyoxane
CID 66554133
(4-phenylcyclohexyl)oxymethylbenzene
CID 11043723
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
(4-ethynylcyclohexyl)oxymethylbenzene
CID 168926601
(4-propylcyclohexyl)oxymethylbenzene
CID 147199890
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
4-phenylmethoxyazepane
CID 63716383
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
(4S)-4-phenylmethoxycycloheptan-1-one
CID 124560825
3-phenylmethoxycyclopentan-1-amine
CID 79421215

Frequently Asked Questions

What is the IUPAC name of 1-oxido-4-phenylmethoxypiperidin-1-ium?
The IUPAC name of 1-oxido-4-phenylmethoxypiperidin-1-ium (CID 6374335) is 1-oxido-4-phenylmethoxypiperidin-1-ium.
What is the SMILES notation for 1-oxido-4-phenylmethoxypiperidin-1-ium?
The canonical SMILES for 1-oxido-4-phenylmethoxypiperidin-1-ium is [O-][NH+]1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 1-oxido-4-phenylmethoxypiperidin-1-ium?
The InChIKey is YZULUYYBNPPPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2.
What are the key properties of 1-oxido-4-phenylmethoxypiperidin-1-ium?
1-oxido-4-phenylmethoxypiperidin-1-ium has a molecular weight of 207.27 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-4-phenylmethoxypiperidin-1-ium is sourced from PubChem (CID 6374335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).