(2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol

C16H22F3NO2 — CID 124621263

IUPAC(2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol
SMILESCc1ccc(OC2CCN(C[C@@H](O)CC(F)(F)F)CC2)cc1
InChIInChI=1S/C16H22F3NO2/c1-12-2-4-14(5-3-12)22-15-6-8-20(9-7-15)11-13(21)10-16(17,18)19/h2-5,13,15,21H,6-11H2,1H3/t13-/m0/s1
InChIKeyOWJDIYOSOILOOV-ZDUSSCGKSA-N
MW317.35 g/mol
LogP3.15
Rot. Bonds5

About (2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol

(2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol (PubChem CID 124621263) has the molecular formula C16H22F3NO2 and a molecular weight of 317.35 g/mol. Its IUPAC name is (2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol
PubChem CID124621263
Molecular FormulaC16H22F3NO2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name(2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol
SMILESCc1ccc(OC2CCN(C[C@@H](O)CC(F)(F)F)CC2)cc1
InChIInChI=1S/C16H22F3NO2/c1-12-2-4-14(5-3-12)22-15-6-8-20(9-7-15)11-13(21)10-16(17,18)19/h2-5,13,15,21H,6-11H2,1H3/t13-/m0/s1
InChIKeyOWJDIYOSOILOOV-ZDUSSCGKSA-N
XLogP3.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol
CID 111423473
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041914
N,N-dimethyl-2-[4-(4-methylphenoxy)piperidin-1-yl]acetamide
CID 167150972
1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78895879
(3S)-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-methylsulfanylbutan-1-one
CID 124569340
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 111116460
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
1-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 141041950
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110397098
[4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174977791

Frequently Asked Questions

What is the IUPAC name of (2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol?
The IUPAC name of (2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol (CID 124621263) is (2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol.
What is the SMILES notation for (2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol?
The canonical SMILES for (2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol is Cc1ccc(OC2CCN(C[C@@H](O)CC(F)(F)F)CC2)cc1.
What is the InChIKey of (2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol?
The InChIKey is OWJDIYOSOILOOV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22F3NO2/c1-12-2-4-14(5-3-12)22-15-6-8-20(9-7-15)11-13(21)10-16(17,18)19/h2-5,13,15,21H,6-11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol?
(2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol has a molecular weight of 317.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4,4-trifluoro-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 124621263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).