1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol

C14H23NO2 — CID 90953626

IUPAC1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol
SMILESOC1CCN(CCCOC2C=CCC=C2)CC1
InChIInChI=1S/C14H23NO2/c16-13-7-10-15(11-8-13)9-4-12-17-14-5-2-1-3-6-14/h2-3,5-6,13-14,16H,1,4,7-12H2
InChIKeyKSQVQAUVFFRROM-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.73
Rot. Bonds5

About 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol

1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol (PubChem CID 90953626) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol
PubChem CID90953626
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol
SMILESOC1CCN(CCCOC2C=CCC=C2)CC1
InChIInChI=1S/C14H23NO2/c16-13-7-10-15(11-8-13)9-4-12-17-14-5-2-1-3-6-14/h2-3,5-6,13-14,16H,1,4,7-12H2
InChIKeyKSQVQAUVFFRROM-UHFFFAOYSA-N
XLogP1.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-Cyclohexa-1,5-dien-1-yloxypropyl)piperidin-4-ol
CID 22262780
1-(3-Cyclohexa-2,5-dien-1-yloxypropyl)piperidine
CID 57115460
2-(4-Cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol
CID 142283541
1-[(E)-4-methoxybut-2-enyl]piperidin-4-ol
CID 143150884
1-(3-But-3-en-2-yloxypropyl)piperidin-4-ol
CID 156869153
1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-ol
CID 115879755

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol?
The IUPAC name of 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol (CID 90953626) is 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol.
What is the SMILES notation for 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol?
The canonical SMILES for 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol is OC1CCN(CCCOC2C=CCC=C2)CC1.
What is the InChIKey of 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol?
The InChIKey is KSQVQAUVFFRROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-13-7-10-15(11-8-13)9-4-12-17-14-5-2-1-3-6-14/h2-3,5-6,13-14,16H,1,4,7-12H2.
What are the key properties of 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol?
1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol has a molecular weight of 237.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol is sourced from PubChem (CID 90953626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).