2-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]-1,2-thiazolidine

C23H36N2O2S — CID 90897078

IUPAC2-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]-1,2-thiazolidine
SMILESCC(C)N1CCC(Oc2ccc(C3(CN4CCCS4)CCOCC3)cc2)CC1
InChIInChI=1S/C23H36N2O2S/c1-19(2)24-13-8-22(9-14-24)27-21-6-4-20(5-7-21)23(10-15-26-16-11-23)18-25-12-3-17-28-25/h4-7,19,22H,3,8-18H2,1-2H3
InChIKeyAICPLPWYBKLCKW-UHFFFAOYSA-N
MW404.62 g/mol
LogP4.34
Rot. Bonds6

About 2-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]-1,2-thiazolidine

2-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]-1,2-thiazolidine (PubChem CID 90897078) has the molecular formula C23H36N2O2S and a molecular weight of 404.62 g/mol. Its IUPAC name is 2-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]-1,2-thiazolidine.

Molecular Properties

Compound Name2-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]-1,2-thiazolidine
PubChem CID90897078
Molecular FormulaC23H36N2O2S
Molecular Weight404.62 g/mol
Exact Mass404.25
IUPAC Name2-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]-1,2-thiazolidine
SMILESCC(C)N1CCC(Oc2ccc(C3(CN4CCCS4)CCOCC3)cc2)CC1
InChIInChI=1S/C23H36N2O2S/c1-19(2)24-13-8-22(9-14-24)27-21-6-4-20(5-7-21)23(10-15-26-16-11-23)18-25-12-3-17-28-25/h4-7,19,22H,3,8-18H2,1-2H3
InChIKeyAICPLPWYBKLCKW-UHFFFAOYSA-N
XLogP4.34
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.62
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-amine
CID 154379731
N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine
CID 59837502
4-(4-piperidin-1-ylphenoxy)-1-propan-2-ylpiperidine
CID 141090677
morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone
CID 59250205
N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-3-amine;4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidine-4-carbonitrile
CID 158102766
1-ethyl-2-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111316275
[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone
CID 68578403
N'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109427728
1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine
CID 130267989
2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 154236709
4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]morpholine
CID 11545550
1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
CID 142661887

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]-1,2-thiazolidine?
The IUPAC name of 2-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]-1,2-thiazolidine (CID 90897078) is 2-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]-1,2-thiazolidine.
What is the SMILES notation for 2-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]-1,2-thiazolidine?
The canonical SMILES for 2-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]-1,2-thiazolidine is CC(C)N1CCC(Oc2ccc(C3(CN4CCCS4)CCOCC3)cc2)CC1.
What is the InChIKey of 2-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]-1,2-thiazolidine?
The InChIKey is AICPLPWYBKLCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2S/c1-19(2)24-13-8-22(9-14-24)27-21-6-4-20(5-7-21)23(10-15-26-16-11-23)18-25-12-3-17-28-25/h4-7,19,22H,3,8-18H2,1-2H3.
What are the key properties of 2-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]-1,2-thiazolidine?
2-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]-1,2-thiazolidine has a molecular weight of 404.62 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]-1,2-thiazolidine is sourced from PubChem (CID 90897078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).