(3R,4R)-4-cyclobutyl-3-methyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol

C14H24F3NO — CID 72919887

IUPAC(3R,4R)-4-cyclobutyl-3-methyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol
SMILESC[C@@H]1CN(CCCC(F)(F)F)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C14H24F3NO/c1-11-10-18(8-3-6-14(15,16)17)9-7-13(11,19)12-4-2-5-12/h11-12,19H,2-10H2,1H3/t11-,13+/m1/s1
InChIKeyXPEQHGJRCBAMIQ-YPMHNXCESA-N
MW279.35 g/mol
LogP3.20
Rot. Bonds4

About (3R,4R)-4-cyclobutyl-3-methyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol

(3R,4R)-4-cyclobutyl-3-methyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol (PubChem CID 72919887) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is (3R,4R)-4-cyclobutyl-3-methyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-cyclobutyl-3-methyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol
PubChem CID72919887
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name(3R,4R)-4-cyclobutyl-3-methyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol
SMILESC[C@@H]1CN(CCCC(F)(F)F)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C14H24F3NO/c1-11-10-18(8-3-6-14(15,16)17)9-7-13(11,19)12-4-2-5-12/h11-12,19H,2-10H2,1H3/t11-,13+/m1/s1
InChIKeyXPEQHGJRCBAMIQ-YPMHNXCESA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4R)-4-cyclobutyl-3-methyl-1-(4,4,4-trifluorobutyl)piperidin-4-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

1,1,1-Trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol
CID 83983137
1-Tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol
CID 90419709
1-Tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol
CID 90420086
1-Methyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol
CID 115515262
(2R)-1,1,1-trifluoro-2-(1-methylpiperidin-4-yl)propan-2-ol
CID 129298756
4-(3,3-Difluorobutyl)-1-methylpiperidin-4-ol
CID 144699623
4-(4,4-Difluorobutyl)-1-methylpiperidin-4-ol
CID 146582687
4-(3,3-Difluoro-2-methylpropyl)-1-methylpiperidin-4-ol
CID 146582692
1-Methyl-4-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-ol
CID 146582940
4-(4-Fluoropentyl)-1-methylpiperidin-4-ol
CID 146582970
4-[(2,2-Difluorocyclopropyl)methyl]-1-methylpiperidin-4-ol
CID 146583153
2-(4,4-Difluoro-1-propan-2-ylpiperidin-3-yl)propan-2-ol
CID 153592476

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclobutyl-3-methyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol?
The IUPAC name of (3R,4R)-4-cyclobutyl-3-methyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol (CID 72919887) is (3R,4R)-4-cyclobutyl-3-methyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-4-cyclobutyl-3-methyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-4-cyclobutyl-3-methyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol is C[C@@H]1CN(CCCC(F)(F)F)CC[C@@]1(O)C1CCC1.
What is the InChIKey of (3R,4R)-4-cyclobutyl-3-methyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol?
The InChIKey is XPEQHGJRCBAMIQ-YPMHNXCESA-N. The full InChI is InChI=1S/C14H24F3NO/c1-11-10-18(8-3-6-14(15,16)17)9-7-13(11,19)12-4-2-5-12/h11-12,19H,2-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of (3R,4R)-4-cyclobutyl-3-methyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol?
(3R,4R)-4-cyclobutyl-3-methyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol has a molecular weight of 279.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclobutyl-3-methyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol is sourced from PubChem (CID 72919887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).