1-cyclohexa-2,4-dien-1-yl-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol

C20H33NO — CID 69302229

IUPAC1-cyclohexa-2,4-dien-1-yl-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCCC1)(C1C=CC=CC1)C1CCCCC1
InChIInChI=1S/C20H33NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10,18-19,22H,2-3,6-9,11-17H2
InChIKeyRDVQQULCWIHRHQ-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.31
Rot. Bonds5

About 1-cyclohexa-2,4-dien-1-yl-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol

1-cyclohexa-2,4-dien-1-yl-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol (PubChem CID 69302229) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-yl-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-yl-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol
PubChem CID69302229
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name1-cyclohexa-2,4-dien-1-yl-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCCC1)(C1C=CC=CC1)C1CCCCC1
InChIInChI=1S/C20H33NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10,18-19,22H,2-3,6-9,11-17H2
InChIKeyRDVQQULCWIHRHQ-UHFFFAOYSA-N
XLogP4.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-yl-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 1-cyclohexa-2,4-dien-1-yl-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol (CID 69302229) is 1-cyclohexa-2,4-dien-1-yl-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-yl-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-yl-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol is OC(CCN1CCCCC1)(C1C=CC=CC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-yl-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol?
The InChIKey is RDVQQULCWIHRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10,18-19,22H,2-3,6-9,11-17H2.
What are the key properties of 1-cyclohexa-2,4-dien-1-yl-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol?
1-cyclohexa-2,4-dien-1-yl-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol has a molecular weight of 303.49 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-yl-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 69302229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).