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

C19H39N3O — CID 167088937

IUPAC4-[2-(1-methylpiperidin-4-yl)ethyl]-9-propan-2-yl-1-oxa-4,9-diazacycloundecane
SMILESCC(C)N1CCCCN(CCC2CCN(C)CC2)CCOCC1
InChIInChI=1S/C19H39N3O/c1-18(2)22-10-5-4-9-21(14-16-23-17-15-22)13-8-19-6-11-20(3)12-7-19/h18-19H,4-17H2,1-3H3
InChIKeyNVNUJALYDZPOPQ-UHFFFAOYSA-N
MW325.54 g/mol
LogP2.54
Rot. Bonds4

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

4-[2-(1-methylpiperidin-4-yl)ethyl]-9-propan-2-yl-1-oxa-4,9-diazacycloundecane (PubChem CID 167088937) has the molecular formula C19H39N3O and a molecular weight of 325.54 g/mol. Its IUPAC name is 4-[2-(1-methylpiperidin-4-yl)ethyl]-9-propan-2-yl-1-oxa-4,9-diazacycloundecane.

Molecular Properties

Compound Name4-[2-(1-methylpiperidin-4-yl)ethyl]-9-propan-2-yl-1-oxa-4,9-diazacycloundecane
PubChem CID167088937
Molecular FormulaC19H39N3O
Molecular Weight325.54 g/mol
Exact Mass325.31
IUPAC Name4-[2-(1-methylpiperidin-4-yl)ethyl]-9-propan-2-yl-1-oxa-4,9-diazacycloundecane
SMILESCC(C)N1CCCCN(CCC2CCN(C)CC2)CCOCC1
InChIInChI=1S/C19H39N3O/c1-18(2)22-10-5-4-9-21(14-16-23-17-15-22)13-8-19-6-11-20(3)12-7-19/h18-19H,4-17H2,1-3H3
InChIKeyNVNUJALYDZPOPQ-UHFFFAOYSA-N
XLogP2.54
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane
CID 155184385
1-methylpiperidine;4-propan-2-ylmorpholine
CID 176969911
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
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
CID 158397131
1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155184379
ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155702616
1-(2-cyclopropylethyl)pyrrolidine
CID 67632943
ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine)
CID 161339699
4-propan-2-yl-1,4-oxazepane;hydrate
CID 176712925
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpiperidin-4-yl)ethyl]-9-propan-2-yl-1-oxa-4,9-diazacycloundecane?
The IUPAC name of 4-[2-(1-methylpiperidin-4-yl)ethyl]-9-propan-2-yl-1-oxa-4,9-diazacycloundecane (CID 167088937) is 4-[2-(1-methylpiperidin-4-yl)ethyl]-9-propan-2-yl-1-oxa-4,9-diazacycloundecane.
What is the SMILES notation for 4-[2-(1-methylpiperidin-4-yl)ethyl]-9-propan-2-yl-1-oxa-4,9-diazacycloundecane?
The canonical SMILES for 4-[2-(1-methylpiperidin-4-yl)ethyl]-9-propan-2-yl-1-oxa-4,9-diazacycloundecane is CC(C)N1CCCCN(CCC2CCN(C)CC2)CCOCC1.
What is the InChIKey of 4-[2-(1-methylpiperidin-4-yl)ethyl]-9-propan-2-yl-1-oxa-4,9-diazacycloundecane?
The InChIKey is NVNUJALYDZPOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O/c1-18(2)22-10-5-4-9-21(14-16-23-17-15-22)13-8-19-6-11-20(3)12-7-19/h18-19H,4-17H2,1-3H3.
What are the key properties of 4-[2-(1-methylpiperidin-4-yl)ethyl]-9-propan-2-yl-1-oxa-4,9-diazacycloundecane?
4-[2-(1-methylpiperidin-4-yl)ethyl]-9-propan-2-yl-1-oxa-4,9-diazacycloundecane has a molecular weight of 325.54 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpiperidin-4-yl)ethyl]-9-propan-2-yl-1-oxa-4,9-diazacycloundecane is sourced from PubChem (CID 167088937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).