1-benzyl-3-methylazetidin-3-ol;hydrochloride

C11H16ClNO — CID 155289836

IUPAC1-benzyl-3-methylazetidin-3-ol;hydrochloride
SMILESCC1(O)CN(Cc2ccccc2)C1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-11(13)8-12(9-11)7-10-5-3-2-4-6-10;/h2-6,13H,7-9H2,1H3;1H
InChIKeyTWMOCORRMDBAJN-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.67
Rot. Bonds2

About 1-benzyl-3-methylazetidin-3-ol;hydrochloride

1-benzyl-3-methylazetidin-3-ol;hydrochloride (PubChem CID 155289836) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-benzyl-3-methylazetidin-3-ol;hydrochloride.

Molecular Properties

Compound Name1-benzyl-3-methylazetidin-3-ol;hydrochloride
PubChem CID155289836
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-benzyl-3-methylazetidin-3-ol;hydrochloride
SMILESCC1(O)CN(Cc2ccccc2)C1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-11(13)8-12(9-11)7-10-5-3-2-4-6-10;/h2-6,13H,7-9H2,1H3;1H
InChIKeyTWMOCORRMDBAJN-UHFFFAOYSA-N
XLogP1.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
1-benzyl-3-methylpiperidin-3-ol
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1-benzyl-4-methylpiperidin-4-ol
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4-benzyl-1-methylpiperazine-2,2,6,6-tetrol
CID 129179319
1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride
CID 22645922
[1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol
CID 135038184
1-benzyl-3-chloro-3-ethylazetidine
CID 135395939
(1-benzyl-3-fluoroazetidin-3-yl)methanol
CID 146012965
1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol
CID 131168959
2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride
CID 57416961
1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol
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(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methylazetidin-3-ol;hydrochloride?
The IUPAC name of 1-benzyl-3-methylazetidin-3-ol;hydrochloride (CID 155289836) is 1-benzyl-3-methylazetidin-3-ol;hydrochloride.
What is the SMILES notation for 1-benzyl-3-methylazetidin-3-ol;hydrochloride?
The canonical SMILES for 1-benzyl-3-methylazetidin-3-ol;hydrochloride is CC1(O)CN(Cc2ccccc2)C1.Cl.
What is the InChIKey of 1-benzyl-3-methylazetidin-3-ol;hydrochloride?
The InChIKey is TWMOCORRMDBAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-11(13)8-12(9-11)7-10-5-3-2-4-6-10;/h2-6,13H,7-9H2,1H3;1H.
What are the key properties of 1-benzyl-3-methylazetidin-3-ol;hydrochloride?
1-benzyl-3-methylazetidin-3-ol;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methylazetidin-3-ol;hydrochloride is sourced from PubChem (CID 155289836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).