[(1R,5S)-5-(hydroxymethyl)-3-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]cyclohex-3-en-1-yl]methanol

C20H37NO2 — CID 156905664

IUPAC[(1R,5S)-5-(hydroxymethyl)-3-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]cyclohex-3-en-1-yl]methanol
SMILESCC1(C)CCCC(C)(C)N1CCCC1=C[C@@H](CO)C[C@@H](CO)C1
InChIInChI=1S/C20H37NO2/c1-19(2)8-6-9-20(3,4)21(19)10-5-7-16-11-17(14-22)13-18(12-16)15-23/h11,17-18,22-23H,5-10,12-15H2,1-4H3/t17-,18+/m1/s1
InChIKeyMXQYOONKLVVFHN-MSOLQXFVSA-N
MW323.52 g/mol
LogP3.75
Rot. Bonds6

About [(1R,5S)-5-(hydroxymethyl)-3-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]cyclohex-3-en-1-yl]methanol

[(1R,5S)-5-(hydroxymethyl)-3-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]cyclohex-3-en-1-yl]methanol (PubChem CID 156905664) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is [(1R,5S)-5-(hydroxymethyl)-3-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,5S)-5-(hydroxymethyl)-3-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]cyclohex-3-en-1-yl]methanol
PubChem CID156905664
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Name[(1R,5S)-5-(hydroxymethyl)-3-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]cyclohex-3-en-1-yl]methanol
SMILESCC1(C)CCCC(C)(C)N1CCCC1=C[C@@H](CO)C[C@@H](CO)C1
InChIInChI=1S/C20H37NO2/c1-19(2)8-6-9-20(3,4)21(19)10-5-7-16-11-17(14-22)13-18(12-16)15-23/h11,17-18,22-23H,5-10,12-15H2,1-4H3/t17-,18+/m1/s1
InChIKeyMXQYOONKLVVFHN-MSOLQXFVSA-N
XLogP3.75
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1R,5S)-5-(hydroxymethyl)-3-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]cyclohex-3-en-1-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-5-(hydroxymethyl)-3-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]cyclohex-3-en-1-yl]methanol?
The IUPAC name of [(1R,5S)-5-(hydroxymethyl)-3-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]cyclohex-3-en-1-yl]methanol (CID 156905664) is [(1R,5S)-5-(hydroxymethyl)-3-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [(1R,5S)-5-(hydroxymethyl)-3-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [(1R,5S)-5-(hydroxymethyl)-3-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]cyclohex-3-en-1-yl]methanol is CC1(C)CCCC(C)(C)N1CCCC1=C[C@@H](CO)C[C@@H](CO)C1.
What is the InChIKey of [(1R,5S)-5-(hydroxymethyl)-3-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]cyclohex-3-en-1-yl]methanol?
The InChIKey is MXQYOONKLVVFHN-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H37NO2/c1-19(2)8-6-9-20(3,4)21(19)10-5-7-16-11-17(14-22)13-18(12-16)15-23/h11,17-18,22-23H,5-10,12-15H2,1-4H3/t17-,18+/m1/s1.
What are the key properties of [(1R,5S)-5-(hydroxymethyl)-3-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]cyclohex-3-en-1-yl]methanol?
[(1R,5S)-5-(hydroxymethyl)-3-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]cyclohex-3-en-1-yl]methanol has a molecular weight of 323.52 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-5-(hydroxymethyl)-3-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 156905664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).