4-cyclohepta-1,4,6-trien-1-yl-1-methylpiperidin-4-ol;ethane

C15H25NO — CID 143804979

IUPAC4-cyclohepta-1,4,6-trien-1-yl-1-methylpiperidin-4-ol;ethane
SMILESCC.CN1CCC(O)(C2=CCC=CC=C2)CC1
InChIInChI=1S/C13H19NO.C2H6/c1-14-10-8-13(15,9-11-14)12-6-4-2-3-5-7-12;1-2/h2-4,6-7,15H,5,8-11H2,1H3;1-2H3
InChIKeyLFKVTEISPAWLTB-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.91
Rot. Bonds1

About 4-cyclohepta-1,4,6-trien-1-yl-1-methylpiperidin-4-ol;ethane

4-cyclohepta-1,4,6-trien-1-yl-1-methylpiperidin-4-ol;ethane (PubChem CID 143804979) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-cyclohepta-1,4,6-trien-1-yl-1-methylpiperidin-4-ol;ethane.

Molecular Properties

Compound Name4-cyclohepta-1,4,6-trien-1-yl-1-methylpiperidin-4-ol;ethane
PubChem CID143804979
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-cyclohepta-1,4,6-trien-1-yl-1-methylpiperidin-4-ol;ethane
SMILESCC.CN1CCC(O)(C2=CCC=CC=C2)CC1
InChIInChI=1S/C13H19NO.C2H6/c1-14-10-8-13(15,9-11-14)12-6-4-2-3-5-7-12;1-2/h2-4,6-7,15H,5,8-11H2,1H3;1-2H3
InChIKeyLFKVTEISPAWLTB-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(Z)-3-hydroxy-3-methylbut-1-enyl]-1-methylpiperidin-4-ol;hydrochloride
CID 12283011
4-(3-Hydroxy-3-methyl-1-butenyl)-1-methyl-4-piperidinol
CID 12283012
4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 134365797
4-(4-Fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol
CID 142097572
1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 143177636
1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol
CID 146582433
4-[(2Z,4E)-2-chloro-6,6,6-trifluoro-5-methylhexa-2,4-dien-3-yl]-1-(4-methylpent-4-enyl)piperidin-4-ol
CID 141880083
1-Butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol
CID 162581636
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231
4-Methyl-4-hydroxybenzylpiperidine
CID 69949887
1-[(E)-but-2-en-2-yl]-4-[(3Z,5E)-5-chlorohepta-1,3,5-trien-2-yl]piperidin-4-ol
CID 89073947
4-ethyl-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
CID 89840395

Frequently Asked Questions

What is the IUPAC name of 4-cyclohepta-1,4,6-trien-1-yl-1-methylpiperidin-4-ol;ethane?
The IUPAC name of 4-cyclohepta-1,4,6-trien-1-yl-1-methylpiperidin-4-ol;ethane (CID 143804979) is 4-cyclohepta-1,4,6-trien-1-yl-1-methylpiperidin-4-ol;ethane.
What is the SMILES notation for 4-cyclohepta-1,4,6-trien-1-yl-1-methylpiperidin-4-ol;ethane?
The canonical SMILES for 4-cyclohepta-1,4,6-trien-1-yl-1-methylpiperidin-4-ol;ethane is CC.CN1CCC(O)(C2=CCC=CC=C2)CC1.
What is the InChIKey of 4-cyclohepta-1,4,6-trien-1-yl-1-methylpiperidin-4-ol;ethane?
The InChIKey is LFKVTEISPAWLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C2H6/c1-14-10-8-13(15,9-11-14)12-6-4-2-3-5-7-12;1-2/h2-4,6-7,15H,5,8-11H2,1H3;1-2H3.
What are the key properties of 4-cyclohepta-1,4,6-trien-1-yl-1-methylpiperidin-4-ol;ethane?
4-cyclohepta-1,4,6-trien-1-yl-1-methylpiperidin-4-ol;ethane has a molecular weight of 235.37 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohepta-1,4,6-trien-1-yl-1-methylpiperidin-4-ol;ethane is sourced from PubChem (CID 143804979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).