1-benzhydrylazetidin-3-ol;hydrochloride

C16H18ClNO — CID 2801726

IUPAC1-benzhydrylazetidin-3-ol;hydrochloride
SMILESCl.OC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C16H17NO.ClH/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,15-16,18H,11-12H2;1H
InChIKeyLCHTWRWPHBRTNO-UHFFFAOYSA-N
MW275.78 g/mol
LogP2.87
Rot. Bonds3

About 1-benzhydrylazetidin-3-ol;hydrochloride

1-benzhydrylazetidin-3-ol;hydrochloride (PubChem CID 2801726) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-benzhydrylazetidin-3-ol;hydrochloride.

Molecular Properties

Compound Name1-benzhydrylazetidin-3-ol;hydrochloride
PubChem CID2801726
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-benzhydrylazetidin-3-ol;hydrochloride
SMILESCl.OC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C16H17NO.ClH/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,15-16,18H,11-12H2;1H
InChIKeyLCHTWRWPHBRTNO-UHFFFAOYSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydrylazetidin-3-ol;hydrochloride?
The IUPAC name of 1-benzhydrylazetidin-3-ol;hydrochloride (CID 2801726) is 1-benzhydrylazetidin-3-ol;hydrochloride.
What is the SMILES notation for 1-benzhydrylazetidin-3-ol;hydrochloride?
The canonical SMILES for 1-benzhydrylazetidin-3-ol;hydrochloride is Cl.OC1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydrylazetidin-3-ol;hydrochloride?
The InChIKey is LCHTWRWPHBRTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.ClH/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,15-16,18H,11-12H2;1H.
What are the key properties of 1-benzhydrylazetidin-3-ol;hydrochloride?
1-benzhydrylazetidin-3-ol;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydrylazetidin-3-ol;hydrochloride is sourced from PubChem (CID 2801726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).