2-(1-tritylpiperidin-3-ylidene)ethanol

C26H27NO — CID 141119330

IUPAC2-(1-tritylpiperidin-3-ylidene)ethanol
SMILESOCC=C1CCCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C26H27NO/c28-20-18-22-11-10-19-27(21-22)26(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-18,28H,10-11,19-21H2
InChIKeyULQZOQJIEQARSV-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.99
Rot. Bonds5

About 2-(1-tritylpiperidin-3-ylidene)ethanol

2-(1-tritylpiperidin-3-ylidene)ethanol (PubChem CID 141119330) has the molecular formula C26H27NO and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(1-tritylpiperidin-3-ylidene)ethanol.

Molecular Properties

Compound Name2-(1-tritylpiperidin-3-ylidene)ethanol
PubChem CID141119330
Molecular FormulaC26H27NO
Molecular Weight369.51 g/mol
Exact Mass369.21
IUPAC Name2-(1-tritylpiperidin-3-ylidene)ethanol
SMILESOCC=C1CCCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C26H27NO/c28-20-18-22-11-10-19-27(21-22)26(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-18,28H,10-11,19-21H2
InChIKeyULQZOQJIEQARSV-UHFFFAOYSA-N
XLogP4.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-(1-methylpiperidin-3-ylidene)ethanol
CID 115011418
3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol
CID 69024962
1-trityl-1,5,10-triazacyclotetradecane
CID 101161183
1-tritylpiperazine
CID 11472931
2-trityl-3,4-dihydro-1H-isoquinoline-6-carbaldehyde
CID 165406280
(4Z)-4-(dimethylaminomethylidene)-1-tritylpiperidin-3-one
CID 69028878
4-(dimethylaminomethylidene)-1-tritylpiperidin-3-one
CID 57137764
(3S)-1-tritylazepan-3-amine
CID 54215534
2-[6-(2-hydroxyethylidene)cyclohexa-2,4-dien-1-ylidene]ethanol
CID 57146468
(3E)-3-(1,2-oxazol-5-ylmethylidene)-1-tritylpiperidin-4-one
CID 23138869
(1-tritylpiperidin-4-yl)methanamine
CID 18668757
2-[4-(2-hydroxyethylidene)cyclohexylidene]ethanol
CID 86041420

Frequently Asked Questions

What is the IUPAC name of 2-(1-tritylpiperidin-3-ylidene)ethanol?
The IUPAC name of 2-(1-tritylpiperidin-3-ylidene)ethanol (CID 141119330) is 2-(1-tritylpiperidin-3-ylidene)ethanol.
What is the SMILES notation for 2-(1-tritylpiperidin-3-ylidene)ethanol?
The canonical SMILES for 2-(1-tritylpiperidin-3-ylidene)ethanol is OCC=C1CCCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-(1-tritylpiperidin-3-ylidene)ethanol?
The InChIKey is ULQZOQJIEQARSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO/c28-20-18-22-11-10-19-27(21-22)26(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-18,28H,10-11,19-21H2.
What are the key properties of 2-(1-tritylpiperidin-3-ylidene)ethanol?
2-(1-tritylpiperidin-3-ylidene)ethanol has a molecular weight of 369.51 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tritylpiperidin-3-ylidene)ethanol is sourced from PubChem (CID 141119330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).