1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol;ethane

C18H35NO — CID 142188866

IUPAC1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol;ethane
SMILESCC.CC.CC1(O)CCN(CCC2=CCCC=C2)CC1
InChIInChI=1S/C14H23NO.2C2H6/c1-14(16)8-11-15(12-9-14)10-7-13-5-3-2-4-6-13;2*1-2/h3,5-6,16H,2,4,7-12H2,1H3;2*1-2H3
InChIKeyZBVNRWMVHYRRAG-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.55
Rot. Bonds3

About 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol;ethane

1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol;ethane (PubChem CID 142188866) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol;ethane.

Molecular Properties

Compound Name1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol;ethane
PubChem CID142188866
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol;ethane
SMILESCC.CC.CC1(O)CCN(CCC2=CCCC=C2)CC1
InChIInChI=1S/C14H23NO.2C2H6/c1-14(16)8-11-15(12-9-14)10-7-13-5-3-2-4-6-13;2*1-2/h3,5-6,16H,2,4,7-12H2,1H3;2*1-2H3
InChIKeyZBVNRWMVHYRRAG-UHFFFAOYSA-N
XLogP4.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 134365797
5-[2-(Dibutylamino)ethyl]nona-2,7-dien-5-ol
CID 53742642
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231
4-Methyl-4-hydroxybenzylpiperidine
CID 69949887
4-ethyl-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
CID 89840395
4-But-2-en-2-yl-1-methylpiperidin-4-ol
CID 91525335
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol
CID 134365800
4-(3,4-Dimethylcyclohexa-1,5-dien-1-yl)-1-methylpiperidin-4-ol
CID 141791942
ethane;4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 141848831
4-Cyclohepta-1,3,4,6-tetraen-1-yl-1-methylpiperidin-4-ol
CID 141855149
ethane;4-[(3E,5Z)-hepta-3,5-dien-3-yl]-1-methylpiperidin-4-ol
CID 141949905
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol
CID 142097570

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol;ethane?
The IUPAC name of 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol;ethane (CID 142188866) is 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol;ethane.
What is the SMILES notation for 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol;ethane?
The canonical SMILES for 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol;ethane is CC.CC.CC1(O)CCN(CCC2=CCCC=C2)CC1.
What is the InChIKey of 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol;ethane?
The InChIKey is ZBVNRWMVHYRRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.2C2H6/c1-14(16)8-11-15(12-9-14)10-7-13-5-3-2-4-6-13;2*1-2/h3,5-6,16H,2,4,7-12H2,1H3;2*1-2H3.
What are the key properties of 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol;ethane?
1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol;ethane has a molecular weight of 281.48 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol;ethane is sourced from PubChem (CID 142188866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).