3-[(1R)-1-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]ethyl]phenol

C15H22F2N2O — CID 99616000

IUPAC3-[(1R)-1-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]ethyl]phenol
SMILESC[C@@H](NC1CCN(CC(F)F)CC1)c1cccc(O)c1
InChIInChI=1S/C15H22F2N2O/c1-11(12-3-2-4-14(20)9-12)18-13-5-7-19(8-6-13)10-15(16)17/h2-4,9,11,13,15,18,20H,5-8,10H2,1H3/t11-/m1/s1
InChIKeyAIONZZKOPWVQTF-LLVKDONJSA-N
MW284.35 g/mol
LogP2.77
Rot. Bonds5

About 3-[(1R)-1-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]ethyl]phenol

3-[(1R)-1-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]ethyl]phenol (PubChem CID 99616000) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 3-[(1R)-1-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-[(1R)-1-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]ethyl]phenol
PubChem CID99616000
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name3-[(1R)-1-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]ethyl]phenol
SMILESC[C@@H](NC1CCN(CC(F)F)CC1)c1cccc(O)c1
InChIInChI=1S/C15H22F2N2O/c1-11(12-3-2-4-14(20)9-12)18-13-5-7-19(8-6-13)10-15(16)17/h2-4,9,11,13,15,18,20H,5-8,10H2,1H3/t11-/m1/s1
InChIKeyAIONZZKOPWVQTF-LLVKDONJSA-N
XLogP2.77
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 3-[(1R)-1-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]ethyl]phenol (CID 99616000) is 3-[(1R)-1-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 3-[(1R)-1-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 3-[(1R)-1-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]ethyl]phenol is C[C@@H](NC1CCN(CC(F)F)CC1)c1cccc(O)c1.
What is the InChIKey of 3-[(1R)-1-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]ethyl]phenol?
The InChIKey is AIONZZKOPWVQTF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-11(12-3-2-4-14(20)9-12)18-13-5-7-19(8-6-13)10-15(16)17/h2-4,9,11,13,15,18,20H,5-8,10H2,1H3/t11-/m1/s1.
What are the key properties of 3-[(1R)-1-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]ethyl]phenol?
3-[(1R)-1-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]ethyl]phenol has a molecular weight of 284.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 99616000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).