1-benzyl-2,2-dimethylpyrrolidin-3-ol

C13H19NO — CID 83848241

IUPAC1-benzyl-2,2-dimethylpyrrolidin-3-ol
SMILESCC1(C)C(O)CCN1Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-13(2)12(15)8-9-14(13)10-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3
InChIKeyRTPQOQBCLWOZLU-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.03
Rot. Bonds2

About 1-benzyl-2,2-dimethylpyrrolidin-3-ol

1-benzyl-2,2-dimethylpyrrolidin-3-ol (PubChem CID 83848241) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-benzyl-2,2-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-2,2-dimethylpyrrolidin-3-ol
PubChem CID83848241
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-benzyl-2,2-dimethylpyrrolidin-3-ol
SMILESCC1(C)C(O)CCN1Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-13(2)12(15)8-9-14(13)10-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3
InChIKeyRTPQOQBCLWOZLU-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2,2-difluoropyrrolidin-3-ol
CID 118095392
1-benzyl-3-bromo-2,2-dimethylpyrrolidine
CID 130979463
2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
CID 83851242
(1R,5S)-2-benzyl-1-methyl-2-azabicyclo[3.1.0]hexane
CID 101450566
(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909
1-benzyl-N,2,2-trimethylpiperidin-4-amine
CID 117020178
2-benzyl-1-methyl-2-azabicyclo[2.1.1]hexane
CID 11389846
(1-benzyl-2-methylazetidin-2-yl)methanol
CID 53343747
(1S,5R,6S,9R)-2-benzyl-5-methyl-2-azabicyclo[3.3.1]nonane-6,9-diol
CID 134834620
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
CID 86042658
CID 86042658
1-benzyl-2,2-dimethylpiperidine-4-carbonitrile
CID 117020253

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,2-dimethylpyrrolidin-3-ol?
The IUPAC name of 1-benzyl-2,2-dimethylpyrrolidin-3-ol (CID 83848241) is 1-benzyl-2,2-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-2,2-dimethylpyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-2,2-dimethylpyrrolidin-3-ol is CC1(C)C(O)CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,2-dimethylpyrrolidin-3-ol?
The InChIKey is RTPQOQBCLWOZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2)12(15)8-9-14(13)10-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3.
What are the key properties of 1-benzyl-2,2-dimethylpyrrolidin-3-ol?
1-benzyl-2,2-dimethylpyrrolidin-3-ol has a molecular weight of 205.30 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,2-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 83848241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).