2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine

C26H36N2O2 — CID 122236798

IUPAC2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCN1CCCCC1C1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C26H36N2O2/c1-3-27(4-2)19-20-28-18-12-11-17-24(28)25-21-29-26(30-25,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-10,13-16,24-25H,3-4,11-12,17-21H2,1-2H3
InChIKeyFOMSIUQSYGFRSZ-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.50
Rot. Bonds8

About 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine

2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine (PubChem CID 122236798) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine
PubChem CID122236798
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCN1CCCCC1C1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C26H36N2O2/c1-3-27(4-2)19-20-28-18-12-11-17-24(28)25-21-29-26(30-25,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-10,13-16,24-25H,3-4,11-12,17-21H2,1-2H3
InChIKeyFOMSIUQSYGFRSZ-UHFFFAOYSA-N
XLogP4.50
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(diethylamino)-1-[2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-1-yl]ethanone
CID 145453191
4-ethyl-2,2-diphenyl-1,3-dioxolane
CID 123665979
4-[1-[2-(diethylamino)ethyl]piperidin-2-yl]pyrrolidin-2-one
CID 86785110
1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride
CID 157418968
N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide
CID 56501604
N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine
CID 96552846
2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol
CID 66566955
2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine
CID 63760471
N-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
CID 102728652
2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine
CID 68901288
N,N-diethyl-2-[2-(ethylaminomethyl)piperidin-1-yl]ethanamine
CID 63847288
(7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 69019014

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine (CID 122236798) is 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine is CCN(CC)CCN1CCCCC1C1COC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine?
The InChIKey is FOMSIUQSYGFRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-3-27(4-2)19-20-28-18-12-11-17-24(28)25-21-29-26(30-25,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-10,13-16,24-25H,3-4,11-12,17-21H2,1-2H3.
What are the key properties of 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine?
2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine has a molecular weight of 408.59 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine is sourced from PubChem (CID 122236798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).