4,4-difluoro-5-(4-phenylmethoxypiperidin-1-yl)pentan-1-ol

C17H25F2NO2 — CID 19600489

IUPAC4,4-difluoro-5-(4-phenylmethoxypiperidin-1-yl)pentan-1-ol
SMILESOCCCC(F)(F)CN1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C17H25F2NO2/c18-17(19,9-4-12-21)14-20-10-7-16(8-11-20)22-13-15-5-2-1-3-6-15/h1-3,5-6,16,21H,4,7-14H2
InChIKeyPIZUQGMDHNTJOI-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.08
Rot. Bonds8

About 4,4-difluoro-5-(4-phenylmethoxypiperidin-1-yl)pentan-1-ol

4,4-difluoro-5-(4-phenylmethoxypiperidin-1-yl)pentan-1-ol (PubChem CID 19600489) has the molecular formula C17H25F2NO2 and a molecular weight of 313.39 g/mol. Its IUPAC name is 4,4-difluoro-5-(4-phenylmethoxypiperidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name4,4-difluoro-5-(4-phenylmethoxypiperidin-1-yl)pentan-1-ol
PubChem CID19600489
Molecular FormulaC17H25F2NO2
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC Name4,4-difluoro-5-(4-phenylmethoxypiperidin-1-yl)pentan-1-ol
SMILESOCCCC(F)(F)CN1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C17H25F2NO2/c18-17(19,9-4-12-21)14-20-10-7-16(8-11-20)22-13-15-5-2-1-3-6-15/h1-3,5-6,16,21H,4,7-14H2
InChIKeyPIZUQGMDHNTJOI-UHFFFAOYSA-N
XLogP3.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5-(4-phenylmethoxypiperidin-1-yl)pentan-1-ol?
The IUPAC name of 4,4-difluoro-5-(4-phenylmethoxypiperidin-1-yl)pentan-1-ol (CID 19600489) is 4,4-difluoro-5-(4-phenylmethoxypiperidin-1-yl)pentan-1-ol.
What is the SMILES notation for 4,4-difluoro-5-(4-phenylmethoxypiperidin-1-yl)pentan-1-ol?
The canonical SMILES for 4,4-difluoro-5-(4-phenylmethoxypiperidin-1-yl)pentan-1-ol is OCCCC(F)(F)CN1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 4,4-difluoro-5-(4-phenylmethoxypiperidin-1-yl)pentan-1-ol?
The InChIKey is PIZUQGMDHNTJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO2/c18-17(19,9-4-12-21)14-20-10-7-16(8-11-20)22-13-15-5-2-1-3-6-15/h1-3,5-6,16,21H,4,7-14H2.
What are the key properties of 4,4-difluoro-5-(4-phenylmethoxypiperidin-1-yl)pentan-1-ol?
4,4-difluoro-5-(4-phenylmethoxypiperidin-1-yl)pentan-1-ol has a molecular weight of 313.39 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5-(4-phenylmethoxypiperidin-1-yl)pentan-1-ol is sourced from PubChem (CID 19600489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).