4-(3-chlorophenoxy)piperidin-1-ium chloride

C11H15Cl2NO — CID 68534851

IUPAC4-(3-chlorophenoxy)piperidin-1-ium chloride
SMILESClc1cccc(OC2CC[NH2+]CC2)c1.[Cl-]
InChIInChI=1S/C11H14ClNO.ClH/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;/h1-3,8,10,13H,4-7H2;1H
InChIKeyRCKZZPLYUQTPMJ-UHFFFAOYSA-N
MW248.15 g/mol
LogP-1.55
Rot. Bonds2

About 4-(3-chlorophenoxy)piperidin-1-ium chloride

4-(3-chlorophenoxy)piperidin-1-ium chloride (PubChem CID 68534851) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)piperidin-1-ium chloride.

Molecular Properties

Compound Name4-(3-chlorophenoxy)piperidin-1-ium chloride
PubChem CID68534851
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name4-(3-chlorophenoxy)piperidin-1-ium chloride
SMILESClc1cccc(OC2CC[NH2+]CC2)c1.[Cl-]
InChIInChI=1S/C11H14ClNO.ClH/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;/h1-3,8,10,13H,4-7H2;1H
InChIKeyRCKZZPLYUQTPMJ-UHFFFAOYSA-N
XLogP-1.55
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenoxypiperidin-1-ium
CID 38988695
4-(3-chlorophenoxy)piperidine-1-carboxylic acid
CID 22353407
1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine
CID 110358894
3-(3-chlorophenoxy)azetidine-1-carbonyl chloride
CID 15042230
2-(3-chlorophenoxy)cyclohexan-1-ol
CID 60880666
3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane
CID 66881018
4-(3-chlorophenoxy)-2,2-dimethylpyrrolidine
CID 116821052
4-(3-chlorophenoxy)-1-propylsulfonylpiperidine
CID 110358892
1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one
CID 110611152
2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine
CID 114523139
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 133406433
4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine
CID 110358899

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)piperidin-1-ium chloride?
The IUPAC name of 4-(3-chlorophenoxy)piperidin-1-ium chloride (CID 68534851) is 4-(3-chlorophenoxy)piperidin-1-ium chloride.
What is the SMILES notation for 4-(3-chlorophenoxy)piperidin-1-ium chloride?
The canonical SMILES for 4-(3-chlorophenoxy)piperidin-1-ium chloride is Clc1cccc(OC2CC[NH2+]CC2)c1.[Cl-].
What is the InChIKey of 4-(3-chlorophenoxy)piperidin-1-ium chloride?
The InChIKey is RCKZZPLYUQTPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO.ClH/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;/h1-3,8,10,13H,4-7H2;1H.
What are the key properties of 4-(3-chlorophenoxy)piperidin-1-ium chloride?
4-(3-chlorophenoxy)piperidin-1-ium chloride has a molecular weight of 248.15 g/mol, XLogP of -1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)piperidin-1-ium chloride is sourced from PubChem (CID 68534851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).