2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride

C20H26ClNO — CID 56830376

IUPAC2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
SMILESCl.c1ccc(Cc2ccc(OCCC3CCCCN3)cc2)cc1
InChIInChI=1S/C20H25NO.ClH/c1-2-6-17(7-3-1)16-18-9-11-20(12-10-18)22-15-13-19-8-4-5-14-21-19;/h1-3,6-7,9-12,19,21H,4-5,8,13-16H2;1H
InChIKeyXFBPPGWAXQESSM-UHFFFAOYSA-N
MW331.89 g/mol
LogP4.61
Rot. Bonds6

About 2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride

2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride (PubChem CID 56830376) has the molecular formula C20H26ClNO and a molecular weight of 331.89 g/mol. Its IUPAC name is 2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
PubChem CID56830376
Molecular FormulaC20H26ClNO
Molecular Weight331.89 g/mol
Exact Mass331.17
IUPAC Name2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
SMILESCl.c1ccc(Cc2ccc(OCCC3CCCCN3)cc2)cc1
InChIInChI=1S/C20H25NO.ClH/c1-2-6-17(7-3-1)16-18-9-11-20(12-10-18)22-15-13-19-8-4-5-14-21-19;/h1-3,6-7,9-12,19,21H,4-5,8,13-16H2;1H
InChIKeyXFBPPGWAXQESSM-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride?
The IUPAC name of 2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride (CID 56830376) is 2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride?
The canonical SMILES for 2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride is Cl.c1ccc(Cc2ccc(OCCC3CCCCN3)cc2)cc1.
What is the InChIKey of 2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride?
The InChIKey is XFBPPGWAXQESSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.ClH/c1-2-6-17(7-3-1)16-18-9-11-20(12-10-18)22-15-13-19-8-4-5-14-21-19;/h1-3,6-7,9-12,19,21H,4-5,8,13-16H2;1H.
What are the key properties of 2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride?
2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 56830376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).