1-benzyl-3-naphthalen-2-ylpyrrolidin-3-ol;hydrochloride

C21H22ClNO — CID 2894287

IUPAC1-benzyl-3-naphthalen-2-ylpyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(c2ccc3ccccc3c2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H21NO.ClH/c23-21(20-11-10-18-8-4-5-9-19(18)14-20)12-13-22(16-21)15-17-6-2-1-3-7-17;/h1-11,14,23H,12-13,15-16H2;1H
InChIKeyVIZLYCWIRBAAQI-UHFFFAOYSA-N
MW339.87 g/mol
LogP4.36
Rot. Bonds3

About 1-benzyl-3-naphthalen-2-ylpyrrolidin-3-ol;hydrochloride

1-benzyl-3-naphthalen-2-ylpyrrolidin-3-ol;hydrochloride (PubChem CID 2894287) has the molecular formula C21H22ClNO and a molecular weight of 339.87 g/mol. Its IUPAC name is 1-benzyl-3-naphthalen-2-ylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name1-benzyl-3-naphthalen-2-ylpyrrolidin-3-ol;hydrochloride
PubChem CID2894287
Molecular FormulaC21H22ClNO
Molecular Weight339.87 g/mol
Exact Mass339.14
IUPAC Name1-benzyl-3-naphthalen-2-ylpyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(c2ccc3ccccc3c2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H21NO.ClH/c23-21(20-11-10-18-8-4-5-9-19(18)14-20)12-13-22(16-21)15-17-6-2-1-3-7-17;/h1-11,14,23H,12-13,15-16H2;1H
InChIKeyVIZLYCWIRBAAQI-UHFFFAOYSA-N
XLogP4.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-naphthalen-2-ylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 1-benzyl-3-naphthalen-2-ylpyrrolidin-3-ol;hydrochloride (CID 2894287) is 1-benzyl-3-naphthalen-2-ylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 1-benzyl-3-naphthalen-2-ylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 1-benzyl-3-naphthalen-2-ylpyrrolidin-3-ol;hydrochloride is Cl.OC1(c2ccc3ccccc3c2)CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-naphthalen-2-ylpyrrolidin-3-ol;hydrochloride?
The InChIKey is VIZLYCWIRBAAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO.ClH/c23-21(20-11-10-18-8-4-5-9-19(18)14-20)12-13-22(16-21)15-17-6-2-1-3-7-17;/h1-11,14,23H,12-13,15-16H2;1H.
What are the key properties of 1-benzyl-3-naphthalen-2-ylpyrrolidin-3-ol;hydrochloride?
1-benzyl-3-naphthalen-2-ylpyrrolidin-3-ol;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-naphthalen-2-ylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 2894287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).