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

C16H21F3N2O3 — CID 125138216

IUPAC(2S)-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide
SMILESCC[C@@H](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)/t13-/m0/s1
InChIKeyWMHCUOUEHSVEKJ-ZDUSSCGKSA-N
MW346.35 g/mol
LogP2.13
Rot. Bonds5

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

(2S)-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide (PubChem CID 125138216) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is (2S)-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide
PubChem CID125138216
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name(2S)-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide
SMILESCC[C@@H](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)/t13-/m0/s1
InChIKeyWMHCUOUEHSVEKJ-ZDUSSCGKSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide?
The IUPAC name of (2S)-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide (CID 125138216) is (2S)-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide.
What is the SMILES notation for (2S)-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide?
The canonical SMILES for (2S)-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide is CC[C@@H](C(N)=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of (2S)-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide?
The InChIKey is WMHCUOUEHSVEKJ-ZDUSSCGKSA-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)/t13-/m0/s1.
What are the key properties of (2S)-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide?
(2S)-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 (2S)-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]butanamide is sourced from PubChem (CID 125138216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).