1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol

C21H21NO — CID 2894128

IUPAC1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol
SMILESOC1(c2cccc3ccccc23)CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H21NO/c23-21(20-12-6-10-18-9-4-5-11-19(18)20)13-14-22(16-21)15-17-7-2-1-3-8-17/h1-12,23H,13-16H2
InChIKeyYYEKMBYFVPXXMN-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.93
Rot. Bonds3

About 1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol

1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol (PubChem CID 2894128) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol
PubChem CID2894128
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol
SMILESOC1(c2cccc3ccccc23)CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H21NO/c23-21(20-12-6-10-18-9-4-5-11-19(18)20)13-14-22(16-21)15-17-7-2-1-3-8-17/h1-12,23H,13-16H2
InChIKeyYYEKMBYFVPXXMN-UHFFFAOYSA-N
XLogP3.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
CID 129372424
1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol
CID 130546152
1-benzyl-3-(4-bromo-2,5-difluorophenyl)pyrrolidin-3-ol
CID 19915200
1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride
CID 19095553
1-benzyl-3-[2-[(2,5-difluorophenyl)methyl]phenyl]pyrrolidin-3-ol;hydrobromide
CID 12804773
1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride
CID 12563566
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
3-[[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 77086540
5-(1-benzyl-4-hydroxypiperidin-4-yl)-1H-benzo[cd]indol-2-one
CID 163258568
1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
CID 80605715
1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol
CID 130546169
1-[(3-methylsulfanylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 74241252

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol?
The IUPAC name of 1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol (CID 2894128) is 1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol is OC1(c2cccc3ccccc23)CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol?
The InChIKey is YYEKMBYFVPXXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c23-21(20-12-6-10-18-9-4-5-11-19(18)20)13-14-22(16-21)15-17-7-2-1-3-8-17/h1-12,23H,13-16H2.
What are the key properties of 1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol?
1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol has a molecular weight of 303.41 g/mol, XLogP of 3.93, 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-1-ylpyrrolidin-3-ol is sourced from PubChem (CID 2894128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).