4-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol

C12H19NO — CID 123461502

IUPAC4-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol
SMILESOC1(CC2=CC=CCC2)CCNCC1
InChIInChI=1S/C12H19NO/c14-12(6-8-13-9-7-12)10-11-4-2-1-3-5-11/h1-2,4,13-14H,3,5-10H2
InChIKeyWFLYMHARLUTPFL-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.77
Rot. Bonds2

About 4-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol

4-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol (PubChem CID 123461502) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol
PubChem CID123461502
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol
SMILESOC1(CC2=CC=CCC2)CCNCC1
InChIInChI=1S/C12H19NO/c14-12(6-8-13-9-7-12)10-11-4-2-1-3-5-11/h1-2,4,13-14H,3,5-10H2
InChIKeyWFLYMHARLUTPFL-UHFFFAOYSA-N
XLogP1.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 4-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol (CID 123461502) is 4-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol is OC1(CC2=CC=CCC2)CCNCC1.
What is the InChIKey of 4-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol?
The InChIKey is WFLYMHARLUTPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-12(6-8-13-9-7-12)10-11-4-2-1-3-5-11/h1-2,4,13-14H,3,5-10H2.
What are the key properties of 4-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol?
4-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol has a molecular weight of 193.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 123461502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).