(3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol

C14H21NO2 — CID 129349125

IUPAC(3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
SMILESCOc1ccc(CN2C[C@H](O)C(C)(C)C2)cc1
InChIInChI=1S/C14H21NO2/c1-14(2)10-15(9-13(14)16)8-11-4-6-12(17-3)7-5-11/h4-7,13,16H,8-10H2,1-3H3/t13-/m0/s1
InChIKeyVPFRKLVMPRESEZ-ZDUSSCGKSA-N
MW235.33 g/mol
LogP1.90
Rot. Bonds3

About (3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol

(3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol (PubChem CID 129349125) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
PubChem CID129349125
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
SMILESCOc1ccc(CN2C[C@H](O)C(C)(C)C2)cc1
InChIInChI=1S/C14H21NO2/c1-14(2)10-15(9-13(14)16)8-11-4-6-12(17-3)7-5-11/h4-7,13,16H,8-10H2,1-3H3/t13-/m0/s1
InChIKeyVPFRKLVMPRESEZ-ZDUSSCGKSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
CID 121207278
(4R)-4-azido-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 173487038
(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572
3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine
CID 135395442
5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole
CID 155315514
(4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid
CID 51440155
4,4-dimethyl-1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidin-3-ol
CID 139020668
5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine
CID 102434786
[4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone
CID 175373957
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 176930266
8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol
CID 69431075

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol (CID 129349125) is (3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol is COc1ccc(CN2C[C@H](O)C(C)(C)C2)cc1.
What is the InChIKey of (3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol?
The InChIKey is VPFRKLVMPRESEZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2)10-15(9-13(14)16)8-11-4-6-12(17-3)7-5-11/h4-7,13,16H,8-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol?
(3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 129349125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).