4-benzyl-1-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride

C21H28ClNO — CID 14280766

IUPAC4-benzyl-1-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
SMILESCOc1ccc(CCN2CCC(Cc3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-23-21-9-7-18(8-10-21)11-14-22-15-12-20(13-16-22)17-19-5-3-2-4-6-19;/h2-10,20H,11-17H2,1H3;1H
InChIKeyVXORYWJGVQFTRD-UHFFFAOYSA-N
MW345.91 g/mol
LogP4.61
Rot. Bonds6

About 4-benzyl-1-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride

4-benzyl-1-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride (PubChem CID 14280766) has the molecular formula C21H28ClNO and a molecular weight of 345.91 g/mol. Its IUPAC name is 4-benzyl-1-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-benzyl-1-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
PubChem CID14280766
Molecular FormulaC21H28ClNO
Molecular Weight345.91 g/mol
Exact Mass345.19
IUPAC Name4-benzyl-1-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
SMILESCOc1ccc(CCN2CCC(Cc3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-23-21-9-7-18(8-10-21)11-14-22-15-12-20(13-16-22)17-19-5-3-2-4-6-19;/h2-10,20H,11-17H2,1H3;1H
InChIKeyVXORYWJGVQFTRD-UHFFFAOYSA-N
XLogP4.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.91
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride?
The IUPAC name of 4-benzyl-1-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride (CID 14280766) is 4-benzyl-1-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-benzyl-1-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride?
The canonical SMILES for 4-benzyl-1-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride is COc1ccc(CCN2CCC(Cc3ccccc3)CC2)cc1.Cl.
What is the InChIKey of 4-benzyl-1-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride?
The InChIKey is VXORYWJGVQFTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO.ClH/c1-23-21-9-7-18(8-10-21)11-14-22-15-12-20(13-16-22)17-19-5-3-2-4-6-19;/h2-10,20H,11-17H2,1H3;1H.
What are the key properties of 4-benzyl-1-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride?
4-benzyl-1-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride has a molecular weight of 345.91 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 14280766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).