(1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol

C16H25NO — CID 104939735

IUPAC(1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol
SMILESCC1CC(C)C(C)N(c2ccccc2[C@H](C)O)C1
InChIInChI=1S/C16H25NO/c1-11-9-12(2)13(3)17(10-11)16-8-6-5-7-15(16)14(4)18/h5-8,11-14,18H,9-10H2,1-4H3/t11?,12?,13?,14-/m0/s1
InChIKeyWQXIXHUHIHYMMH-XOZUOACSSA-N
MW247.38 g/mol
LogP3.61
Rot. Bonds2

About (1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol

(1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol (PubChem CID 104939735) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol
PubChem CID104939735
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol
SMILESCC1CC(C)C(C)N(c2ccccc2[C@H](C)O)C1
InChIInChI=1S/C16H25NO/c1-11-9-12(2)13(3)17(10-11)16-8-6-5-7-15(16)14(4)18/h5-8,11-14,18H,9-10H2,1-4H3/t11?,12?,13?,14-/m0/s1
InChIKeyWQXIXHUHIHYMMH-XOZUOACSSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol 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-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol
CID 114594058
(1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol
CID 79188358
1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]ethanol
CID 55061562
N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114594233
(1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
CID 104939708
2-methylsulfanyl-6-(2,3,5-trimethylpiperidin-1-yl)benzoic acid
CID 114597259
[2-propan-2-yl-5-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]methanol
CID 114594756
1-[2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 43510148
1-[2-(3-methylmorpholin-4-yl)phenyl]ethanol
CID 43542345
2-fluoro-6-(2,3,5-trimethylpiperidin-1-yl)benzenecarbothioamide
CID 114593344
1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol
CID 79931487
(1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol
CID 102884577

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol (CID 104939735) is (1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol is CC1CC(C)C(C)N(c2ccccc2[C@H](C)O)C1.
What is the InChIKey of (1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol?
The InChIKey is WQXIXHUHIHYMMH-XOZUOACSSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-9-12(2)13(3)17(10-11)16-8-6-5-7-15(16)14(4)18/h5-8,11-14,18H,9-10H2,1-4H3/t11?,12?,13?,14-/m0/s1.
What are the key properties of (1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol?
(1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 104939735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).