4-phenyl-1-(2-tritiooxycyclohexyl)piperidine

C17H25NO — CID 54580503

IUPAC4-phenyl-1-(2-tritiooxycyclohexyl)piperidine
SMILES[3H]OC1CCCCC1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/i19T
InChIKeyYSSBJODGIYRAMI-SETVJMCQSA-N
MW261.40 g/mol
LogP3.17
Rot. Bonds3

About 4-phenyl-1-(2-tritiooxycyclohexyl)piperidine

4-phenyl-1-(2-tritiooxycyclohexyl)piperidine (PubChem CID 54580503) has the molecular formula C17H25NO and a molecular weight of 261.40 g/mol. Its IUPAC name is 4-phenyl-1-(2-tritiooxycyclohexyl)piperidine.

Molecular Properties

Compound Name4-phenyl-1-(2-tritiooxycyclohexyl)piperidine
PubChem CID54580503
Molecular FormulaC17H25NO
Molecular Weight261.40 g/mol
Exact Mass261.20
IUPAC Name4-phenyl-1-(2-tritiooxycyclohexyl)piperidine
SMILES[3H]OC1CCCCC1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/i19T
InChIKeyYSSBJODGIYRAMI-SETVJMCQSA-N
XLogP3.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(2-tritiooxycyclohexyl)piperidine?
The IUPAC name of 4-phenyl-1-(2-tritiooxycyclohexyl)piperidine (CID 54580503) is 4-phenyl-1-(2-tritiooxycyclohexyl)piperidine.
What is the SMILES notation for 4-phenyl-1-(2-tritiooxycyclohexyl)piperidine?
The canonical SMILES for 4-phenyl-1-(2-tritiooxycyclohexyl)piperidine is [3H]OC1CCCCC1N1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-(2-tritiooxycyclohexyl)piperidine?
The InChIKey is YSSBJODGIYRAMI-SETVJMCQSA-N. The full InChI is InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/i19T.
What are the key properties of 4-phenyl-1-(2-tritiooxycyclohexyl)piperidine?
4-phenyl-1-(2-tritiooxycyclohexyl)piperidine has a molecular weight of 261.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(2-tritiooxycyclohexyl)piperidine is sourced from PubChem (CID 54580503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).