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

C18H33NO2 — CID 156905643

IUPAC[(1R,5S)-5-(hydroxymethyl)-3-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]cyclohex-3-en-1-yl]methanol
SMILESCC1(C)CCCC(C)(C)N1CC1=C[C@@H](CO)C[C@@H](CO)C1
InChIInChI=1S/C18H33NO2/c1-17(2)6-5-7-18(3,4)19(17)11-14-8-15(12-20)10-16(9-14)13-21/h8,15-16,20-21H,5-7,9-13H2,1-4H3/t15-,16+/m1/s1
InChIKeyFBLYBYWGPVXBAT-CVEARBPZSA-N
MW295.47 g/mol
LogP2.97
Rot. Bonds4

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

[(1R,5S)-5-(hydroxymethyl)-3-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]cyclohex-3-en-1-yl]methanol (PubChem CID 156905643) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is [(1R,5S)-5-(hydroxymethyl)-3-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,5S)-5-(hydroxymethyl)-3-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]cyclohex-3-en-1-yl]methanol
PubChem CID156905643
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name[(1R,5S)-5-(hydroxymethyl)-3-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]cyclohex-3-en-1-yl]methanol
SMILESCC1(C)CCCC(C)(C)N1CC1=C[C@@H](CO)C[C@@H](CO)C1
InChIInChI=1S/C18H33NO2/c1-17(2)6-5-7-18(3,4)19(17)11-14-8-15(12-20)10-16(9-14)13-21/h8,15-16,20-21H,5-7,9-13H2,1-4H3/t15-,16+/m1/s1
InChIKeyFBLYBYWGPVXBAT-CVEARBPZSA-N
XLogP2.97
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-{3-[cis-3,5-Bis(hydroxymethyl)cyclohex-1-enyl]propyl}2,2,6,6-tetramethylpiperidine
CID 156905664
[3-(4-Ethylcyclohex-3-en-1-yl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanol
CID 68341262
{1-[(4-Isopropenyl-1-cyclohexen-1-yl)methyl]-3-piperidinyl}methanol
CID 2845617
[(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol
CID 7074560
[(3S)-1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol
CID 7444412
[1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol
CID 23764330
[(3R)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol
CID 40470986
[(3R)-1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol
CID 40515419
((3R,5S)-1-{[(4S)-4-isopropenylcyclohex-1-en-1-yl]methyl}piperidine-3,5-diyl)dimethanol
CID 129616242

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-5-(hydroxymethyl)-3-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]cyclohex-3-en-1-yl]methanol?
The IUPAC name of [(1R,5S)-5-(hydroxymethyl)-3-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]cyclohex-3-en-1-yl]methanol (CID 156905643) is [(1R,5S)-5-(hydroxymethyl)-3-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [(1R,5S)-5-(hydroxymethyl)-3-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [(1R,5S)-5-(hydroxymethyl)-3-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]cyclohex-3-en-1-yl]methanol is CC1(C)CCCC(C)(C)N1CC1=C[C@@H](CO)C[C@@H](CO)C1.
What is the InChIKey of [(1R,5S)-5-(hydroxymethyl)-3-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]cyclohex-3-en-1-yl]methanol?
The InChIKey is FBLYBYWGPVXBAT-CVEARBPZSA-N. The full InChI is InChI=1S/C18H33NO2/c1-17(2)6-5-7-18(3,4)19(17)11-14-8-15(12-20)10-16(9-14)13-21/h8,15-16,20-21H,5-7,9-13H2,1-4H3/t15-,16+/m1/s1.
What are the key properties of [(1R,5S)-5-(hydroxymethyl)-3-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]cyclohex-3-en-1-yl]methanol?
[(1R,5S)-5-(hydroxymethyl)-3-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]cyclohex-3-en-1-yl]methanol has a molecular weight of 295.47 g/mol, XLogP of 2.97, 4 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-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 156905643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).