cyclopropyl-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone

C22H25NO2 — CID 2561323

IUPACcyclopropyl-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H25NO2/c24-21(17-11-12-17)23-15-13-20(14-16-23)22(25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,20,25H,11-16H2
InChIKeyXSSZCOSSCGDJFD-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.57
Rot. Bonds4

About cyclopropyl-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone

cyclopropyl-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone (PubChem CID 2561323) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is cyclopropyl-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
PubChem CID2561323
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Namecyclopropyl-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H25NO2/c24-21(17-11-12-17)23-15-13-20(14-16-23)22(25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,20,25H,11-16H2
InChIKeyXSSZCOSSCGDJFD-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone (CID 2561323) is cyclopropyl-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of cyclopropyl-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is XSSZCOSSCGDJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c24-21(17-11-12-17)23-15-13-20(14-16-23)22(25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,20,25H,11-16H2.
What are the key properties of cyclopropyl-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 335.45 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 2561323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).