4-cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol

C13H19NO — CID 142096230

IUPAC4-cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(C2=CC=CC=CC2)CC1
InChIInChI=1S/C13H19NO/c1-14-10-8-13(15,9-11-14)12-6-4-2-3-5-7-12/h2-6,15H,7-11H2,1H3
InChIKeySWFNXBFIDQOUCQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.89
Rot. Bonds1

About 4-cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol

4-cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol (PubChem CID 142096230) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol
PubChem CID142096230
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(C2=CC=CC=CC2)CC1
InChIInChI=1S/C13H19NO/c1-14-10-8-13(15,9-11-14)12-6-4-2-3-5-7-12/h2-6,15H,7-11H2,1H3
InChIKeySWFNXBFIDQOUCQ-UHFFFAOYSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 143177636
4-(4-Fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine
CID 144635932
4-[(E)-but-1-enyl]-1,2,2,6,6-pentamethylpiperidin-4-ol
CID 20501086
4-But-1-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol
CID 54144531
1,2,2,6,6-Pentamethyl-4-prop-1-enylpiperidin-4-ol
CID 54237835
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231
4-Methyl-4-hydroxybenzylpiperidine
CID 69949887
1,2,2,6,6-pentamethyl-4-[(Z)-prop-1-enyl]piperidin-4-ol
CID 70524040
4-ethyl-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
CID 89840395
4-Cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol
CID 90902227

Frequently Asked Questions

What is the IUPAC name of 4-cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol?
The IUPAC name of 4-cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol (CID 142096230) is 4-cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol?
The canonical SMILES for 4-cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol is CN1CCC(O)(C2=CC=CC=CC2)CC1.
What is the InChIKey of 4-cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol?
The InChIKey is SWFNXBFIDQOUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-14-10-8-13(15,9-11-14)12-6-4-2-3-5-7-12/h2-6,15H,7-11H2,1H3.
What are the key properties of 4-cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol?
4-cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol has a molecular weight of 205.30 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol is sourced from PubChem (CID 142096230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).