[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol

C15H23NO2 — CID 72620554

IUPAC[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
SMILESCC1(CO)CN(Cc2ccccc2)CC1(C)CO
InChIInChI=1S/C15H23NO2/c1-14(11-17)9-16(10-15(14,2)12-18)8-13-6-4-3-5-7-13/h3-7,17-18H,8-12H2,1-2H3
InChIKeyMTKSXGAJJQTFKG-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.50
Rot. Bonds4

About [1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol

[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol (PubChem CID 72620554) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
PubChem CID72620554
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
SMILESCC1(CO)CN(Cc2ccccc2)CC1(C)CO
InChIInChI=1S/C15H23NO2/c1-14(11-17)9-16(10-15(14,2)12-18)8-13-6-4-3-5-7-13/h3-7,17-18H,8-12H2,1-2H3
InChIKeyMTKSXGAJJQTFKG-UHFFFAOYSA-N
XLogP1.50
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
(1-benzyl-3-fluoroazetidin-3-yl)methanol
CID 146012965
[1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol
CID 135038184
4-benzyl-1-methylpiperazine-2,2,6,6-tetrol
CID 129179319
1-benzyl-3-chloro-3-ethylazetidine
CID 135395939
1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol
CID 131168959
1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride
CID 22645922
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 130151390
[(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol
CID 169228655
(3aS,6aS)-5-benzyl-3a,6a-dimethyl-4,6-dihydrofuro[3,4-c]pyrrole-1,3-dione
CID 98080696
1-benzyl-3-methylpiperidin-3-ol
CID 15283107

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol (CID 72620554) is [1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol is CC1(CO)CN(Cc2ccccc2)CC1(C)CO.
What is the InChIKey of [1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol?
The InChIKey is MTKSXGAJJQTFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-14(11-17)9-16(10-15(14,2)12-18)8-13-6-4-3-5-7-13/h3-7,17-18H,8-12H2,1-2H3.
What are the key properties of [1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol?
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol has a molecular weight of 249.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 72620554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).