[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol

C10H19F3N2O — CID 43753184

IUPAC[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol
SMILESNCCC(N1CCCC(CO)C1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)9(3-4-14)15-5-1-2-8(6-15)7-16/h8-9,16H,1-7,14H2
InChIKeyFWRLOFZMVFWURX-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.97
Rot. Bonds4

About [1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol

[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol (PubChem CID 43753184) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is [1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol
PubChem CID43753184
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol
SMILESNCCC(N1CCCC(CO)C1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)9(3-4-14)15-5-1-2-8(6-15)7-16/h8-9,16H,1-7,14H2
InChIKeyFWRLOFZMVFWURX-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,4'-Bipiperidin-3-ylmethanol
CID 23092060
(4,4-Difluoropiperidin-3-yl)methanol
CID 67371998
rac-((2R,3S)-2-(trifluoromethyl)piperidin-3-yl)methanol
CID 122163382
[1-(Butan-2-yl)-4,4-difluoropiperidin-3-yl]methanol
CID 126778899
(5,5-Difluoropiperidin-3-yl)methanol
CID 84072882
(R)-(4,4-Difluoropiperidin-3-yl)methanol
CID 97291477
(S)-(4,4-Difluoropiperidin-3-yl)methanol
CID 97291478
(R)-(5,5-Difluoropiperidin-3-yl)methanol
CID 97357066
(4,4-Difluoro-1-propan-2-ylpiperidin-3-yl)methanol
CID 131132944
(5,5-Difluoro-2-methylpiperidin-3-yl)methanol
CID 139343290
(5,5-Difluoro-1-propan-2-ylpiperidin-3-yl)methanol
CID 153592519
(4,4-Difluoropiperidin-3-yl)methanol;ethane
CID 156750006

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol (CID 43753184) is [1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol is NCCC(N1CCCC(CO)C1)C(F)(F)F.
What is the InChIKey of [1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol?
The InChIKey is FWRLOFZMVFWURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)9(3-4-14)15-5-1-2-8(6-15)7-16/h8-9,16H,1-7,14H2.
What are the key properties of [1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol?
[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol has a molecular weight of 240.27 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 43753184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).