1-methyl-4-piperidin-1-ylcyclohexa-2,4-dien-1-ol

C12H19NO — CID 140977714

IUPAC1-methyl-4-piperidin-1-ylcyclohexa-2,4-dien-1-ol
SMILESCC1(O)C=CC(N2CCCCC2)=CC1
InChIInChI=1S/C12H19NO/c1-12(14)7-5-11(6-8-12)13-9-3-2-4-10-13/h5-7,14H,2-4,8-10H2,1H3
InChIKeyHLBOMFZXRHMFAJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.07
Rot. Bonds1

About 1-methyl-4-piperidin-1-ylcyclohexa-2,4-dien-1-ol

1-methyl-4-piperidin-1-ylcyclohexa-2,4-dien-1-ol (PubChem CID 140977714) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-methyl-4-piperidin-1-ylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-methyl-4-piperidin-1-ylcyclohexa-2,4-dien-1-ol
PubChem CID140977714
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-methyl-4-piperidin-1-ylcyclohexa-2,4-dien-1-ol
SMILESCC1(O)C=CC(N2CCCCC2)=CC1
InChIInChI=1S/C12H19NO/c1-12(14)7-5-11(6-8-12)13-9-3-2-4-10-13/h5-7,14H,2-4,8-10H2,1H3
InChIKeyHLBOMFZXRHMFAJ-UHFFFAOYSA-N
XLogP2.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-piperidin-1-ylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-methyl-4-piperidin-1-ylcyclohexa-2,4-dien-1-ol (CID 140977714) is 1-methyl-4-piperidin-1-ylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-methyl-4-piperidin-1-ylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-methyl-4-piperidin-1-ylcyclohexa-2,4-dien-1-ol is CC1(O)C=CC(N2CCCCC2)=CC1.
What is the InChIKey of 1-methyl-4-piperidin-1-ylcyclohexa-2,4-dien-1-ol?
The InChIKey is HLBOMFZXRHMFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(14)7-5-11(6-8-12)13-9-3-2-4-10-13/h5-7,14H,2-4,8-10H2,1H3.
What are the key properties of 1-methyl-4-piperidin-1-ylcyclohexa-2,4-dien-1-ol?
1-methyl-4-piperidin-1-ylcyclohexa-2,4-dien-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-piperidin-1-ylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 140977714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).