1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one

C16H20F3NO2 — CID 111969635

IUPAC1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one
SMILESCCC(C(=O)N1CCC(O)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3NO2/c1-2-14(15(22)20-8-6-13(21)7-9-20)11-4-3-5-12(10-11)16(17,18)19/h3-5,10,13-14,21H,2,6-9H2,1H3
InChIKeyRDRRCKFJODZHQV-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.18
Rot. Bonds3

About 1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one

1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one (PubChem CID 111969635) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one
PubChem CID111969635
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one
SMILESCCC(C(=O)N1CCC(O)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3NO2/c1-2-14(15(22)20-8-6-13(21)7-9-20)11-4-3-5-12(10-11)16(17,18)19/h3-5,10,13-14,21H,2,6-9H2,1H3
InChIKeyRDRRCKFJODZHQV-UHFFFAOYSA-N
XLogP3.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 119402443
1-[3-(methylamino)piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 119491462
1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 120996972
(2S)-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 97009437
2-[(2R)-4-[(2R)-2-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 124683785
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 111561047
1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 154840919
N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide
CID 119388692
2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide
CID 99815640
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119427331
3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 110894959
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one (CID 111969635) is 1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one is CCC(C(=O)N1CCC(O)CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one?
The InChIKey is RDRRCKFJODZHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-2-14(15(22)20-8-6-13(21)7-9-20)11-4-3-5-12(10-11)16(17,18)19/h3-5,10,13-14,21H,2,6-9H2,1H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one?
1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one has a molecular weight of 315.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one is sourced from PubChem (CID 111969635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).