lithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate

C20H22LiNO2 — CID 155146392

IUPAClithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate
SMILESO=C([O-])C1CCN(CC(c2ccccc2)c2ccccc2)CC1.[Li+]
InChIInChI=1S/C20H23NO2.Li/c22-20(23)18-11-13-21(14-12-18)15-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17;/h1-10,18-19H,11-15H2,(H,22,23);/q;+1/p-1
InChIKeyIXKSFNZRFONHRW-UHFFFAOYSA-M
MW315.34 g/mol
LogP-0.72
Rot. Bonds5

About lithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate

lithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate (PubChem CID 155146392) has the molecular formula C20H22LiNO2 and a molecular weight of 315.34 g/mol. Its IUPAC name is lithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namelithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate
PubChem CID155146392
Molecular FormulaC20H22LiNO2
Molecular Weight315.34 g/mol
Exact Mass315.18
IUPAC Namelithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate
SMILESO=C([O-])C1CCN(CC(c2ccccc2)c2ccccc2)CC1.[Li+]
InChIInChI=1S/C20H23NO2.Li/c22-20(23)18-11-13-21(14-12-18)15-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17;/h1-10,18-19H,11-15H2,(H,22,23);/q;+1/p-1
InChIKeyIXKSFNZRFONHRW-UHFFFAOYSA-M
XLogP-0.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-diphenylethyl)-N-hydroxypiperidine-4-carboxamide
CID 155146350
1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate
CID 164771735
1-[(2R)-2-hydroxy-2-phenylethyl]piperidine-4-carboxamide
CID 718707
(3R)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458129
(3S)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458131
1-ethylpiperidine-4-carboxylate
CID 22406282
methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376
(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone
CID 795735
1-(2,2-diphenylethyl)-3-methylpyrrolidine
CID 22949855
1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide
CID 64535939
[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883905
1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate
CID 7175742

Frequently Asked Questions

What is the IUPAC name of lithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate?
The IUPAC name of lithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate (CID 155146392) is lithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate.
What is the SMILES notation for lithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate?
The canonical SMILES for lithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate is O=C([O-])C1CCN(CC(c2ccccc2)c2ccccc2)CC1.[Li+].
What is the InChIKey of lithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate?
The InChIKey is IXKSFNZRFONHRW-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H23NO2.Li/c22-20(23)18-11-13-21(14-12-18)15-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17;/h1-10,18-19H,11-15H2,(H,22,23);/q;+1/p-1.
What are the key properties of lithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate?
lithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate has a molecular weight of 315.34 g/mol, XLogP of -0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate is sourced from PubChem (CID 155146392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).