2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]phenol;hydrochloride

C14H20ClF2NO2 — CID 165429360

IUPAC2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]phenol;hydrochloride
SMILESCl.Oc1ccccc1OCC1CCN(CC(F)F)CC1
InChIInChI=1S/C14H19F2NO2.ClH/c15-14(16)9-17-7-5-11(6-8-17)10-19-13-4-2-1-3-12(13)18;/h1-4,11,14,18H,5-10H2;1H
InChIKeyNFEGTUOUOLDGBH-UHFFFAOYSA-N
MW307.77 g/mol
LogP3.17
Rot. Bonds5

About 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]phenol;hydrochloride

2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]phenol;hydrochloride (PubChem CID 165429360) has the molecular formula C14H20ClF2NO2 and a molecular weight of 307.77 g/mol. Its IUPAC name is 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]phenol;hydrochloride.

Molecular Properties

Compound Name2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]phenol;hydrochloride
PubChem CID165429360
Molecular FormulaC14H20ClF2NO2
Molecular Weight307.77 g/mol
Exact Mass307.12
IUPAC Name2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]phenol;hydrochloride
SMILESCl.Oc1ccccc1OCC1CCN(CC(F)F)CC1
InChIInChI=1S/C14H19F2NO2.ClH/c15-14(16)9-17-7-5-11(6-8-17)10-19-13-4-2-1-3-12(13)18;/h1-4,11,14,18H,5-10H2;1H
InChIKeyNFEGTUOUOLDGBH-UHFFFAOYSA-N
XLogP3.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]phenol;hydrochloride?
The IUPAC name of 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]phenol;hydrochloride (CID 165429360) is 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]phenol;hydrochloride.
What is the SMILES notation for 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]phenol;hydrochloride?
The canonical SMILES for 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]phenol;hydrochloride is Cl.Oc1ccccc1OCC1CCN(CC(F)F)CC1.
What is the InChIKey of 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]phenol;hydrochloride?
The InChIKey is NFEGTUOUOLDGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2.ClH/c15-14(16)9-17-7-5-11(6-8-17)10-19-13-4-2-1-3-12(13)18;/h1-4,11,14,18H,5-10H2;1H.
What are the key properties of 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]phenol;hydrochloride?
2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]phenol;hydrochloride has a molecular weight of 307.77 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]phenol;hydrochloride is sourced from PubChem (CID 165429360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).