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

C9H17F3N2O — CID 43752693

IUPAC[1-(3-amino-1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanol
SMILESNCC(N1CCC(CO)CC1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8(5-13)14-3-1-7(6-15)2-4-14/h7-8,15H,1-6,13H2
InChIKeyZJZHXRITOACKDS-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.58
Rot. Bonds3

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

[1-(3-amino-1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanol (PubChem CID 43752693) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is [1-(3-amino-1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanol
PubChem CID43752693
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name[1-(3-amino-1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanol
SMILESNCC(N1CCC(CO)CC1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8(5-13)14-3-1-7(6-15)2-4-14/h7-8,15H,1-6,13H2
InChIKeyZJZHXRITOACKDS-UHFFFAOYSA-N
XLogP0.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-Aminoethyl)piperidin-4-yl]methanol dihydrochloride
CID 54592749
[3-(Dimethylamino)piperidin-4-YL]methanol
CID 86820533
[1-(Piperidin-3-yl)piperidin-4-yl]methanol
CID 56864990
[1-(2-Aminoethyl)piperidin-4-yl]methanol
CID 19104142
(1-(1,3-Difluoropropan-2-yl)piperidin-4-yl)methanol
CID 67170709
3-[1-(2,2,2-Trifluoroethyl)piperazin-2-yl]propan-1-ol
CID 69976541
Amino-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol
CID 71048077
Amino-[1-(2-fluoroethyl)piperidin-4-yl]methanol
CID 89222934
(2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-ol
CID 134355599
(3,3-Difluoro-1-propan-2-ylpiperidin-4-yl)methanol
CID 153592496
[1-(2-Aminoethyl)-4-fluoropiperidin-4-yl]methanol
CID 166075601
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)piperidin-3-yl]methanol
CID 43752760

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(3-amino-1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanol (CID 43752693) is [1-(3-amino-1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(3-amino-1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(3-amino-1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanol is NCC(N1CCC(CO)CC1)C(F)(F)F.
What is the InChIKey of [1-(3-amino-1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanol?
The InChIKey is ZJZHXRITOACKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)8(5-13)14-3-1-7(6-15)2-4-14/h7-8,15H,1-6,13H2.
What are the key properties of [1-(3-amino-1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanol?
[1-(3-amino-1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanol has a molecular weight of 226.24 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 43752693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).