4-phenoxypiperidine-4-carboxylic acid;hydrochloride

C12H16ClNO3 — CID 146675465

IUPAC4-phenoxypiperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(Oc2ccccc2)CCNCC1
InChIInChI=1S/C12H15NO3.ClH/c14-11(15)12(6-8-13-9-7-12)16-10-4-2-1-3-5-10;/h1-5,13H,6-9H2,(H,14,15);1H
InChIKeyYWRAXUKWYOEIKZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.69
Rot. Bonds3

About 4-phenoxypiperidine-4-carboxylic acid;hydrochloride

4-phenoxypiperidine-4-carboxylic acid;hydrochloride (PubChem CID 146675465) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-phenoxypiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-phenoxypiperidine-4-carboxylic acid;hydrochloride
PubChem CID146675465
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name4-phenoxypiperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(Oc2ccccc2)CCNCC1
InChIInChI=1S/C12H15NO3.ClH/c14-11(15)12(6-8-13-9-7-12)16-10-4-2-1-3-5-10;/h1-5,13H,6-9H2,(H,14,15);1H
InChIKeyYWRAXUKWYOEIKZ-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxypiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-phenoxypiperidine-4-carboxylic acid;hydrochloride (CID 146675465) is 4-phenoxypiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-phenoxypiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-phenoxypiperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1(Oc2ccccc2)CCNCC1.
What is the InChIKey of 4-phenoxypiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is YWRAXUKWYOEIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3.ClH/c14-11(15)12(6-8-13-9-7-12)16-10-4-2-1-3-5-10;/h1-5,13H,6-9H2,(H,14,15);1H.
What are the key properties of 4-phenoxypiperidine-4-carboxylic acid;hydrochloride?
4-phenoxypiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxypiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 146675465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).