2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pentan-1-one

C11H19F3N2O2 — CID 112737767

IUPAC2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-2-3-8(15)9(17)16-6-4-10(18,5-7-16)11(12,13)14/h8,18H,2-7,15H2,1H3
InChIKeyOWYAAPDXFGNHQM-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.03
Rot. Bonds3

About 2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pentan-1-one

2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pentan-1-one (PubChem CID 112737767) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pentan-1-one
PubChem CID112737767
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-2-3-8(15)9(17)16-6-4-10(18,5-7-16)11(12,13)14/h8,18H,2-7,15H2,1H3
InChIKeyOWYAAPDXFGNHQM-UHFFFAOYSA-N
XLogP1.03
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 112737765
2-amino-1-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119329695
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
(2S)-2-amino-1-(7,7-dimethyl-1,4-thiazepan-4-yl)pentan-1-one
CID 107571032
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 118219117
2-bromo-1-[4-hydroxy-4-(trifluoromethyl)azepan-1-yl]butan-1-one
CID 112737673
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one
CID 107570937
(2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one
CID 94243526
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647
methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate
CID 93469912
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one
CID 113341327

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pentan-1-one (CID 112737767) is 2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pentan-1-one is CCCC(N)C(=O)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pentan-1-one?
The InChIKey is OWYAAPDXFGNHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-3-8(15)9(17)16-6-4-10(18,5-7-16)11(12,13)14/h8,18H,2-7,15H2,1H3.
What are the key properties of 2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pentan-1-one?
2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pentan-1-one has a molecular weight of 268.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 112737767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).