4-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol

C12H19NO — CID 89025215

IUPAC4-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
SMILESCC1=CCC(C2(O)CCNCC2)C=C1
InChIInChI=1S/C12H19NO/c1-10-2-4-11(5-3-10)12(14)6-8-13-9-7-12/h2-4,11,13-14H,5-9H2,1H3
InChIKeyIQXBDKQSXZKFJL-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.62
Rot. Bonds1

About 4-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol

4-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol (PubChem CID 89025215) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
PubChem CID89025215
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
SMILESCC1=CCC(C2(O)CCNCC2)C=C1
InChIInChI=1S/C12H19NO/c1-10-2-4-11(5-3-10)12(14)6-8-13-9-7-12/h2-4,11,13-14H,5-9H2,1H3
InChIKeyIQXBDKQSXZKFJL-UHFFFAOYSA-N
XLogP1.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol?
The IUPAC name of 4-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol (CID 89025215) is 4-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol.
What is the SMILES notation for 4-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol?
The canonical SMILES for 4-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol is CC1=CCC(C2(O)CCNCC2)C=C1.
What is the InChIKey of 4-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol?
The InChIKey is IQXBDKQSXZKFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-2-4-11(5-3-10)12(14)6-8-13-9-7-12/h2-4,11,13-14H,5-9H2,1H3.
What are the key properties of 4-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol?
4-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol has a molecular weight of 193.29 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol is sourced from PubChem (CID 89025215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).