1-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidin-4-yl]ethanol

C13H25F2N3O — CID 174679991

IUPAC1-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidin-4-yl]ethanol
SMILESCC(O)C1(N2CCN(CC(F)F)CC2)CCNCC1
InChIInChI=1S/C13H25F2N3O/c1-11(19)13(2-4-16-5-3-13)18-8-6-17(7-9-18)10-12(14)15/h11-12,16,19H,2-10H2,1H3
InChIKeyFYNZPVRGOKUWST-UHFFFAOYSA-N
MW277.36 g/mol
LogP0.37
Rot. Bonds4

About 1-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidin-4-yl]ethanol

1-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidin-4-yl]ethanol (PubChem CID 174679991) has the molecular formula C13H25F2N3O and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidin-4-yl]ethanol
PubChem CID174679991
Molecular FormulaC13H25F2N3O
Molecular Weight277.36 g/mol
Exact Mass277.20
IUPAC Name1-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidin-4-yl]ethanol
SMILESCC(O)C1(N2CCN(CC(F)F)CC2)CCNCC1
InChIInChI=1S/C13H25F2N3O/c1-11(19)13(2-4-16-5-3-13)18-8-6-17(7-9-18)10-12(14)15/h11-12,16,19H,2-10H2,1H3
InChIKeyFYNZPVRGOKUWST-UHFFFAOYSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-[[1-[(3S,4R)-4-(tert-butylamino)-3-fluoropiperidin-1-yl]-2-methylpropan-2-yl]amino]piperidin-3-ol
CID 156467825
1-[4-(Trifluoromethyl)piperidin-4-yl]piperidin-4-ol;hydrochloride
CID 176088791
1-[4-(Trifluoromethyl)piperidin-4-yl]piperidin-4-ol
CID 176088792
[1-Propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61046015
[1-Ethyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61046380
[1-Propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61046566
[1-Methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61047127
2-Methyl-2-(propan-2-ylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64790096
2-Methyl-2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64790295
2-(Ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64790690
2-Methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64792487
1-Piperazin-1-yl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 65447746

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidin-4-yl]ethanol (CID 174679991) is 1-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidin-4-yl]ethanol is CC(O)C1(N2CCN(CC(F)F)CC2)CCNCC1.
What is the InChIKey of 1-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidin-4-yl]ethanol?
The InChIKey is FYNZPVRGOKUWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2N3O/c1-11(19)13(2-4-16-5-3-13)18-8-6-17(7-9-18)10-12(14)15/h11-12,16,19H,2-10H2,1H3.
What are the key properties of 1-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidin-4-yl]ethanol?
1-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidin-4-yl]ethanol has a molecular weight of 277.36 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 174679991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).