2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide

C16H21F3N2O3 — CID 122139079

IUPAC2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C16H21F3N2O3/c1-2-13(14(20)22)21-8-6-15(23,7-9-21)11-4-3-5-12(10-11)24-16(17,18)19/h3-5,10,13,23H,2,6-9H2,1H3,(H2,20,22)
InChIKeyWMHCUOUEHSVEKJ-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.13
Rot. Bonds5

About 2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide

2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide (PubChem CID 122139079) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide
PubChem CID122139079
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C16H21F3N2O3/c1-2-13(14(20)22)21-8-6-15(23,7-9-21)11-4-3-5-12(10-11)24-16(17,18)19/h3-5,10,13,23H,2,6-9H2,1H3,(H2,20,22)
InChIKeyWMHCUOUEHSVEKJ-UHFFFAOYSA-N
XLogP2.13
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide
CID 1446520
Cyclopropyl-[4-hydroxy-4-(3-methoxy-phenyl)-piperidin-1-yl]-methanone
CID 649029
Cyclobutyl-[4-hydroxy-4-(3-methoxy-phenyl)-piperidin-1-yl]-methanone
CID 653764
1-[4-Hydroxy-4-(3-methoxy-phenyl)-piperidin-1-yl]-2-methyl-propan-1-one
CID 1446471
4-[3-(Trifluoromethoxy)phenyl]piperidin-4-ol
CID 23149816
2-[4-Hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 1446395
2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 3228808
2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]acetamide
CID 16672796
2-[4-Hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetamide
CID 121531242
N-[(2S)-1-[4-fluoro-4-(3-methoxyphenyl)piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-methylpropanamide
CID 126814154
1-[2-[(3S)-3-(methylamino)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 11155708
1-[2-(3,5-Dimethylpiperazin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 11177055

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide?
The IUPAC name of 2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide (CID 122139079) is 2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide.
What is the SMILES notation for 2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide?
The canonical SMILES for 2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide is CCC(C(N)=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide?
The InChIKey is WMHCUOUEHSVEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-2-13(14(20)22)21-8-6-15(23,7-9-21)11-4-3-5-12(10-11)24-16(17,18)19/h3-5,10,13,23H,2,6-9H2,1H3,(H2,20,22).
What are the key properties of 2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide?
2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide has a molecular weight of 346.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide is sourced from PubChem (CID 122139079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).