1-(2-chlorophenoxy)piperidin-1-ium chloride

C11H15Cl2NO — CID 161245461

IUPAC1-(2-chlorophenoxy)piperidin-1-ium chloride
SMILESClc1ccccc1O[NH+]1CCCCC1.[Cl-]
InChIInChI=1S/C11H14ClNO.ClH/c12-10-6-2-3-7-11(10)14-13-8-4-1-5-9-13;/h2-3,6-7H,1,4-5,8-9H2;1H
InChIKeyVAOQFHALSANKKF-UHFFFAOYSA-N
MW248.15 g/mol
LogP-1.29
Rot. Bonds2

About 1-(2-chlorophenoxy)piperidin-1-ium chloride

1-(2-chlorophenoxy)piperidin-1-ium chloride (PubChem CID 161245461) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)piperidin-1-ium chloride.

Molecular Properties

Compound Name1-(2-chlorophenoxy)piperidin-1-ium chloride
PubChem CID161245461
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name1-(2-chlorophenoxy)piperidin-1-ium chloride
SMILESClc1ccccc1O[NH+]1CCCCC1.[Cl-]
InChIInChI=1S/C11H14ClNO.ClH/c12-10-6-2-3-7-11(10)14-13-8-4-1-5-9-13;/h2-3,6-7H,1,4-5,8-9H2;1H
InChIKeyVAOQFHALSANKKF-UHFFFAOYSA-N
XLogP-1.29
TPSA13.67 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 ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)piperidin-1-ium chloride?
The IUPAC name of 1-(2-chlorophenoxy)piperidin-1-ium chloride (CID 161245461) is 1-(2-chlorophenoxy)piperidin-1-ium chloride.
What is the SMILES notation for 1-(2-chlorophenoxy)piperidin-1-ium chloride?
The canonical SMILES for 1-(2-chlorophenoxy)piperidin-1-ium chloride is Clc1ccccc1O[NH+]1CCCCC1.[Cl-].
What is the InChIKey of 1-(2-chlorophenoxy)piperidin-1-ium chloride?
The InChIKey is VAOQFHALSANKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO.ClH/c12-10-6-2-3-7-11(10)14-13-8-4-1-5-9-13;/h2-3,6-7H,1,4-5,8-9H2;1H.
What are the key properties of 1-(2-chlorophenoxy)piperidin-1-ium chloride?
1-(2-chlorophenoxy)piperidin-1-ium chloride has a molecular weight of 248.15 g/mol, XLogP of -1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)piperidin-1-ium chloride is sourced from PubChem (CID 161245461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).