1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(hydroxymethyl)piperidin-4-ol

C14H23NO2 — CID 157039507

IUPAC1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(hydroxymethyl)piperidin-4-ol
SMILESOCC1CC(O)CCN1CCC1=CCCC=C1
InChIInChI=1S/C14H23NO2/c16-11-13-10-14(17)7-9-15(13)8-6-12-4-2-1-3-5-12/h2,4-5,13-14,16-17H,1,3,6-11H2
InChIKeyLKKXYLZFJHVWKN-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.47
Rot. Bonds4

About 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(hydroxymethyl)piperidin-4-ol

1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(hydroxymethyl)piperidin-4-ol (PubChem CID 157039507) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(hydroxymethyl)piperidin-4-ol
PubChem CID157039507
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(hydroxymethyl)piperidin-4-ol
SMILESOCC1CC(O)CCN1CCC1=CCCC=C1
InChIInChI=1S/C14H23NO2/c16-11-13-10-14(17)7-9-15(13)8-6-12-4-2-1-3-5-12/h2,4-5,13-14,16-17H,1,3,6-11H2
InChIKeyLKKXYLZFJHVWKN-UHFFFAOYSA-N
XLogP1.47
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6R)-1-[2-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol
CID 157039396
(3S,6R)-1-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol
CID 157039953
(2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol
CID 135075681
3-Piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 21316451
(2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 54095593
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-ol
CID 66727520
(2R,3S)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 70609123
1-(Cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol
CID 87674939
1-(1-Cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol
CID 90711064
1-(Cyclohexa-1,3-dien-1-ylmethyl)-1-methoxy-6-methylpiperidin-1-ium-3-ol
CID 90969510
1-(Cyclohexa-1,5-dien-1-ylmethyl)-1-methoxy-6-methylpiperidin-1-ium-3-ol
CID 91218835
[(5E)-1-ethyl-4-methylidene-5-prop-2-enylidenepiperidin-2-yl]methanol
CID 143866514

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(hydroxymethyl)piperidin-4-ol (CID 157039507) is 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(hydroxymethyl)piperidin-4-ol is OCC1CC(O)CCN1CCC1=CCCC=C1.
What is the InChIKey of 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(hydroxymethyl)piperidin-4-ol?
The InChIKey is LKKXYLZFJHVWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-11-13-10-14(17)7-9-15(13)8-6-12-4-2-1-3-5-12/h2,4-5,13-14,16-17H,1,3,6-11H2.
What are the key properties of 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(hydroxymethyl)piperidin-4-ol?
1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(hydroxymethyl)piperidin-4-ol has a molecular weight of 237.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 157039507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).