4-piperidin-1-ylcyclohexa-1,3-dien-1-ol

C11H17NO — CID 89484233

IUPAC4-piperidin-1-ylcyclohexa-1,3-dien-1-ol
SMILESOC1=CC=C(N2CCCCC2)CC1
InChIInChI=1S/C11H17NO/c13-11-6-4-10(5-7-11)12-8-2-1-3-9-12/h4,6,13H,1-3,5,7-9H2
InChIKeyPLIKHFANFJJNQD-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.59
Rot. Bonds1

About 4-piperidin-1-ylcyclohexa-1,3-dien-1-ol

4-piperidin-1-ylcyclohexa-1,3-dien-1-ol (PubChem CID 89484233) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-piperidin-1-ylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-piperidin-1-ylcyclohexa-1,3-dien-1-ol
PubChem CID89484233
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-piperidin-1-ylcyclohexa-1,3-dien-1-ol
SMILESOC1=CC=C(N2CCCCC2)CC1
InChIInChI=1S/C11H17NO/c13-11-6-4-10(5-7-11)12-8-2-1-3-9-12/h4,6,13H,1-3,5,7-9H2
InChIKeyPLIKHFANFJJNQD-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-piperidin-1-ylcyclohexa-1,3-dien-1-ol (CID 89484233) is 4-piperidin-1-ylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-piperidin-1-ylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-piperidin-1-ylcyclohexa-1,3-dien-1-ol is OC1=CC=C(N2CCCCC2)CC1.
What is the InChIKey of 4-piperidin-1-ylcyclohexa-1,3-dien-1-ol?
The InChIKey is PLIKHFANFJJNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c13-11-6-4-10(5-7-11)12-8-2-1-3-9-12/h4,6,13H,1-3,5,7-9H2.
What are the key properties of 4-piperidin-1-ylcyclohexa-1,3-dien-1-ol?
4-piperidin-1-ylcyclohexa-1,3-dien-1-ol has a molecular weight of 179.26 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 89484233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).