[6-cyclohexyl-6-(2-piperidin-1-ylethyl)cyclohexa-2,4-dien-1-yl]methanol

C20H33NO — CID 170849929

IUPAC[6-cyclohexyl-6-(2-piperidin-1-ylethyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESOCC1C=CC=CC1(CCN1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H33NO/c22-17-19-11-5-6-12-20(19,18-9-3-1-4-10-18)13-16-21-14-7-2-8-15-21/h5-6,11-12,18-19,22H,1-4,7-10,13-17H2
InChIKeyVVNQZRQMUBUITE-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.16
Rot. Bonds5

About [6-cyclohexyl-6-(2-piperidin-1-ylethyl)cyclohexa-2,4-dien-1-yl]methanol

[6-cyclohexyl-6-(2-piperidin-1-ylethyl)cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 170849929) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is [6-cyclohexyl-6-(2-piperidin-1-ylethyl)cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[6-cyclohexyl-6-(2-piperidin-1-ylethyl)cyclohexa-2,4-dien-1-yl]methanol
PubChem CID170849929
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name[6-cyclohexyl-6-(2-piperidin-1-ylethyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESOCC1C=CC=CC1(CCN1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H33NO/c22-17-19-11-5-6-12-20(19,18-9-3-1-4-10-18)13-16-21-14-7-2-8-15-21/h5-6,11-12,18-19,22H,1-4,7-10,13-17H2
InChIKeyVVNQZRQMUBUITE-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-cyclohexyl-6-(2-piperidin-1-ylethyl)cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [6-cyclohexyl-6-(2-piperidin-1-ylethyl)cyclohexa-2,4-dien-1-yl]methanol (CID 170849929) is [6-cyclohexyl-6-(2-piperidin-1-ylethyl)cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [6-cyclohexyl-6-(2-piperidin-1-ylethyl)cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [6-cyclohexyl-6-(2-piperidin-1-ylethyl)cyclohexa-2,4-dien-1-yl]methanol is OCC1C=CC=CC1(CCN1CCCCC1)C1CCCCC1.
What is the InChIKey of [6-cyclohexyl-6-(2-piperidin-1-ylethyl)cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is VVNQZRQMUBUITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c22-17-19-11-5-6-12-20(19,18-9-3-1-4-10-18)13-16-21-14-7-2-8-15-21/h5-6,11-12,18-19,22H,1-4,7-10,13-17H2.
What are the key properties of [6-cyclohexyl-6-(2-piperidin-1-ylethyl)cyclohexa-2,4-dien-1-yl]methanol?
[6-cyclohexyl-6-(2-piperidin-1-ylethyl)cyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 303.49 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclohexyl-6-(2-piperidin-1-ylethyl)cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 170849929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).