3,5-diphenylpyrrolidin-3-ol;hydrochloride

C16H18ClNO — CID 3051571

IUPAC3,5-diphenylpyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(c2ccccc2)CNC(c2ccccc2)C1
InChIInChI=1S/C16H17NO.ClH/c18-16(14-9-5-2-6-10-14)11-15(17-12-16)13-7-3-1-4-8-13;/h1-10,15,17-18H,11-12H2;1H
InChIKeyVYZCCTOFRXJZTO-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.03
Rot. Bonds2

About 3,5-diphenylpyrrolidin-3-ol;hydrochloride

3,5-diphenylpyrrolidin-3-ol;hydrochloride (PubChem CID 3051571) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 3,5-diphenylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3,5-diphenylpyrrolidin-3-ol;hydrochloride
PubChem CID3051571
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name3,5-diphenylpyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(c2ccccc2)CNC(c2ccccc2)C1
InChIInChI=1S/C16H17NO.ClH/c18-16(14-9-5-2-6-10-14)11-15(17-12-16)13-7-3-1-4-8-13;/h1-10,15,17-18H,11-12H2;1H
InChIKeyVYZCCTOFRXJZTO-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3,5-diphenylpyrrolidin-3-ol;hydrochloride (CID 3051571) is 3,5-diphenylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3,5-diphenylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3,5-diphenylpyrrolidin-3-ol;hydrochloride is Cl.OC1(c2ccccc2)CNC(c2ccccc2)C1.
What is the InChIKey of 3,5-diphenylpyrrolidin-3-ol;hydrochloride?
The InChIKey is VYZCCTOFRXJZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.ClH/c18-16(14-9-5-2-6-10-14)11-15(17-12-16)13-7-3-1-4-8-13;/h1-10,15,17-18H,11-12H2;1H.
What are the key properties of 3,5-diphenylpyrrolidin-3-ol;hydrochloride?
3,5-diphenylpyrrolidin-3-ol;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 3051571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).