1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol

C16H25NO — CID 130546283

IUPAC1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol
SMILESCC1N(Cc2ccccc2)CCC1(O)C(C)(C)C
InChIInChI=1S/C16H25NO/c1-13-16(18,15(2,3)4)10-11-17(13)12-14-8-6-5-7-9-14/h5-9,13,18H,10-12H2,1-4H3
InChIKeySYTZIFMQOSDIEO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.06
Rot. Bonds2

About 1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol

1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol (PubChem CID 130546283) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol
PubChem CID130546283
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol
SMILESCC1N(Cc2ccccc2)CCC1(O)C(C)(C)C
InChIInChI=1S/C16H25NO/c1-13-16(18,15(2,3)4)10-11-17(13)12-14-8-6-5-7-9-14/h5-9,13,18H,10-12H2,1-4H3
InChIKeySYTZIFMQOSDIEO-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine
CID 19382194
(2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol
CID 10774084
(3S,4R)-1-benzyl-3-tert-butyl-4-methylpyrrolidin-3-ol
CID 101210615
1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol
CID 130546235
1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol
CID 130546252
2-benzyl-1-methyl-2,7-diazaspiro[4.4]nonane
CID 83850406
4-benzhydryl-1-benzyl-2-tert-butylpiperidin-4-ol
CID 58742010
(1S,5R,6S,9R)-2-benzyl-5-methyl-2-azabicyclo[3.3.1]nonane-6,9-diol
CID 134834620
2-(1-benzylaziridin-2-yl)-1,1,1-trifluoropropan-2-ol
CID 102132655
(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol
CID 178002287
1-benzyl-2-methyl-3-(phenylmethoxycarbonylamino)pyrrolidine-3-carboxylic acid
CID 130546064
1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol?
The IUPAC name of 1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol (CID 130546283) is 1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol is CC1N(Cc2ccccc2)CCC1(O)C(C)(C)C.
What is the InChIKey of 1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol?
The InChIKey is SYTZIFMQOSDIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-16(18,15(2,3)4)10-11-17(13)12-14-8-6-5-7-9-14/h5-9,13,18H,10-12H2,1-4H3.
What are the key properties of 1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol?
1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol has a molecular weight of 247.38 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol is sourced from PubChem (CID 130546283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).