4-phenoxypiperidin-1-ium

C11H16NO+ — CID 38988695

IUPAC4-phenoxypiperidin-1-ium
SMILESc1ccc(OC2CC[NH2+]CC2)cc1
InChIInChI=1S/C11H15NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-12H,6-9H2/p+1
InChIKeyKBYPITRKIJKGMD-UHFFFAOYSA-O
MW178.26 g/mol
LogP0.79
Rot. Bonds2

About 4-phenoxypiperidin-1-ium

4-phenoxypiperidin-1-ium (PubChem CID 38988695) has the molecular formula C11H16NO+ and a molecular weight of 178.26 g/mol. Its IUPAC name is 4-phenoxypiperidin-1-ium.

Molecular Properties

Compound Name4-phenoxypiperidin-1-ium
PubChem CID38988695
Molecular FormulaC11H16NO+
Molecular Weight178.26 g/mol
Exact Mass178.12
IUPAC Name4-phenoxypiperidin-1-ium
SMILESc1ccc(OC2CC[NH2+]CC2)cc1
InChIInChI=1S/C11H15NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-12H,6-9H2/p+1
InChIKeyKBYPITRKIJKGMD-UHFFFAOYSA-O
XLogP0.79
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chlorophenoxy)piperidin-1-ium chloride
CID 68534851
magnesium;cyclohexyloxybenzene;hydride
CID 174438663
4-phenoxyoxane
CID 58483739
1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
4-phenoxythiane 1,1-dioxide
CID 141273372
cyclopent-3-en-1-yloxybenzene
CID 125476101
N-methyl-4-phenoxy-N-(4-phenoxycyclohexyl)cyclohexan-1-amine
CID 155434431
(3-methylcyclobutyl)oxybenzene
CID 126670705
3-phenoxycyclohexan-1-ol
CID 79617811
4-(4-phenoxycyclohexylidene)cyclohexan-1-ol
CID 67824653
(4-phenoxycyclohexyl) carbamate
CID 69191754
N-methyl-3-phenoxycyclohexan-1-amine
CID 79618884

Frequently Asked Questions

What is the IUPAC name of 4-phenoxypiperidin-1-ium?
The IUPAC name of 4-phenoxypiperidin-1-ium (CID 38988695) is 4-phenoxypiperidin-1-ium.
What is the SMILES notation for 4-phenoxypiperidin-1-ium?
The canonical SMILES for 4-phenoxypiperidin-1-ium is c1ccc(OC2CC[NH2+]CC2)cc1.
What is the InChIKey of 4-phenoxypiperidin-1-ium?
The InChIKey is KBYPITRKIJKGMD-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-12H,6-9H2/p+1.
What are the key properties of 4-phenoxypiperidin-1-ium?
4-phenoxypiperidin-1-ium has a molecular weight of 178.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxypiperidin-1-ium is sourced from PubChem (CID 38988695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).