1-[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]-N-methylmethanamine

C14H29N3O — CID 63635835

IUPAC1-[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]-N-methylmethanamine
SMILESCCN1CCN(CC2(CNC)CCOC2)CC1C
InChIInChI=1S/C14H29N3O/c1-4-17-7-6-16(9-13(17)2)11-14(10-15-3)5-8-18-12-14/h13,15H,4-12H2,1-3H3
InChIKeyYQDPBJCDNODZLW-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.64
Rot. Bonds5

About 1-[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]-N-methylmethanamine

1-[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]-N-methylmethanamine (PubChem CID 63635835) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]-N-methylmethanamine
PubChem CID63635835
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]-N-methylmethanamine
SMILESCCN1CCN(CC2(CNC)CCOC2)CC1C
InChIInChI=1S/C14H29N3O/c1-4-17-7-6-16(9-13(17)2)11-14(10-15-3)5-8-18-12-14/h13,15H,4-12H2,1-3H3
InChIKeyYQDPBJCDNODZLW-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine
CID 62256682
1-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine
CID 113336168
N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine
CID 63740313
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 63635812
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde
CID 55217181
N-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine
CID 114238073
2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol
CID 107228855
[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 63620081
N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 114539648
N-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine
CID 63741691
1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 63740106
N-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine
CID 79917830

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]-N-methylmethanamine (CID 63635835) is 1-[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]-N-methylmethanamine is CCN1CCN(CC2(CNC)CCOC2)CC1C.
What is the InChIKey of 1-[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]-N-methylmethanamine?
The InChIKey is YQDPBJCDNODZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-17-7-6-16(9-13(17)2)11-14(10-15-3)5-8-18-12-14/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]-N-methylmethanamine?
1-[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]-N-methylmethanamine has a molecular weight of 255.41 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 63635835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).