3-benzylazetidin-3-ol;hydrochloride

C10H14ClNO — CID 67974163

IUPAC3-benzylazetidin-3-ol;hydrochloride
SMILESCl.OC1(Cc2ccccc2)CNC1
InChIInChI=1S/C10H13NO.ClH/c12-10(7-11-8-10)6-9-4-2-1-3-5-9;/h1-5,11-12H,6-8H2;1H
InChIKeyYAHLEXGRUDDBQT-UHFFFAOYSA-N
MW199.68 g/mol
LogP0.99
Rot. Bonds2

About 3-benzylazetidin-3-ol;hydrochloride

3-benzylazetidin-3-ol;hydrochloride (PubChem CID 67974163) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 3-benzylazetidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-benzylazetidin-3-ol;hydrochloride
PubChem CID67974163
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name3-benzylazetidin-3-ol;hydrochloride
SMILESCl.OC1(Cc2ccccc2)CNC1
InChIInChI=1S/C10H13NO.ClH/c12-10(7-11-8-10)6-9-4-2-1-3-5-9;/h1-5,11-12H,6-8H2;1H
InChIKeyYAHLEXGRUDDBQT-UHFFFAOYSA-N
XLogP0.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzylazetidin-3-ol;hydrochloride?
The IUPAC name of 3-benzylazetidin-3-ol;hydrochloride (CID 67974163) is 3-benzylazetidin-3-ol;hydrochloride.
What is the SMILES notation for 3-benzylazetidin-3-ol;hydrochloride?
The canonical SMILES for 3-benzylazetidin-3-ol;hydrochloride is Cl.OC1(Cc2ccccc2)CNC1.
What is the InChIKey of 3-benzylazetidin-3-ol;hydrochloride?
The InChIKey is YAHLEXGRUDDBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c12-10(7-11-8-10)6-9-4-2-1-3-5-9;/h1-5,11-12H,6-8H2;1H.
What are the key properties of 3-benzylazetidin-3-ol;hydrochloride?
3-benzylazetidin-3-ol;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylazetidin-3-ol;hydrochloride is sourced from PubChem (CID 67974163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).