4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane

C21H43N3O — CID 155184385

IUPAC4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane
SMILESCC(C)N1CCCCN(CCC2CCN(C(C)C)CC2)CCOCC1
InChIInChI=1S/C21H43N3O/c1-19(2)23-11-6-5-10-22(15-17-25-18-16-23)12-7-21-8-13-24(14-9-21)20(3)4/h19-21H,5-18H2,1-4H3
InChIKeyQIOGNXBCRWSFMO-UHFFFAOYSA-N
MW353.60 g/mol
LogP3.32
Rot. Bonds5

About 4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane

4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane (PubChem CID 155184385) has the molecular formula C21H43N3O and a molecular weight of 353.60 g/mol. Its IUPAC name is 4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane.

Molecular Properties

Compound Name4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane
PubChem CID155184385
Molecular FormulaC21H43N3O
Molecular Weight353.60 g/mol
Exact Mass353.34
IUPAC Name4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane
SMILESCC(C)N1CCCCN(CCC2CCN(C(C)C)CC2)CCOCC1
InChIInChI=1S/C21H43N3O/c1-19(2)23-11-6-5-10-22(15-17-25-18-16-23)12-7-21-8-13-24(14-9-21)20(3)4/h19-21H,5-18H2,1-4H3
InChIKeyQIOGNXBCRWSFMO-UHFFFAOYSA-N
XLogP3.32
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane with MolForge

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Related Compounds

4-[2-(1-methylpiperidin-4-yl)ethyl]-9-propan-2-yl-1-oxa-4,9-diazacycloundecane
CID 167088937
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
CID 158397131
1-(2-cyclopropylethyl)pyrrolidine
CID 67632943
ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine)
CID 161339699
1-methylpiperidine;4-propan-2-ylmorpholine
CID 176969911
4-propan-2-yl-1,4-oxazepane;hydrate
CID 176712925
1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158438628
1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155184379
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591322
1-(2-piperidin-4-ylethyl)-4-propan-2-ylpiperazine
CID 43585327
10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane
CID 155702623
4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 23627585

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane?
The IUPAC name of 4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane (CID 155184385) is 4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane.
What is the SMILES notation for 4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane?
The canonical SMILES for 4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane is CC(C)N1CCCCN(CCC2CCN(C(C)C)CC2)CCOCC1.
What is the InChIKey of 4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane?
The InChIKey is QIOGNXBCRWSFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N3O/c1-19(2)23-11-6-5-10-22(15-17-25-18-16-23)12-7-21-8-13-24(14-9-21)20(3)4/h19-21H,5-18H2,1-4H3.
What are the key properties of 4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane?
4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane has a molecular weight of 353.60 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane is sourced from PubChem (CID 155184385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).