N-methyl-1-(oxolan-3-yl)-N-(2-piperazin-1-ylethyl)ethanamine

C13H27N3O — CID 113483589

IUPACN-methyl-1-(oxolan-3-yl)-N-(2-piperazin-1-ylethyl)ethanamine
SMILESCC(C1CCOC1)N(C)CCN1CCNCC1
InChIInChI=1S/C13H27N3O/c1-12(13-3-10-17-11-13)15(2)8-9-16-6-4-14-5-7-16/h12-14H,3-11H2,1-2H3
InChIKeyRMJKAKSLNAABGD-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.25
Rot. Bonds5

About N-methyl-1-(oxolan-3-yl)-N-(2-piperazin-1-ylethyl)ethanamine

N-methyl-1-(oxolan-3-yl)-N-(2-piperazin-1-ylethyl)ethanamine (PubChem CID 113483589) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-N-(2-piperazin-1-ylethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-N-(2-piperazin-1-ylethyl)ethanamine
PubChem CID113483589
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-methyl-1-(oxolan-3-yl)-N-(2-piperazin-1-ylethyl)ethanamine
SMILESCC(C1CCOC1)N(C)CCN1CCNCC1
InChIInChI=1S/C13H27N3O/c1-12(13-3-10-17-11-13)15(2)8-9-16-6-4-14-5-7-16/h12-14H,3-11H2,1-2H3
InChIKeyRMJKAKSLNAABGD-UHFFFAOYSA-N
XLogP0.25
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide
CID 63265616
N-ethyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 60849674
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030
1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
CID 63267675
1-cyclopropyl-N-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 116652523
2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid
CID 64661581
N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 62860620
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylethanamine
CID 63236887
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 115708798
2-[methyl(2-piperazin-1-ylethyl)amino]butanamide
CID 63266206
1-cyclopentyl-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 116909766

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-N-(2-piperazin-1-ylethyl)ethanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-N-(2-piperazin-1-ylethyl)ethanamine (CID 113483589) is N-methyl-1-(oxolan-3-yl)-N-(2-piperazin-1-ylethyl)ethanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-N-(2-piperazin-1-ylethyl)ethanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-N-(2-piperazin-1-ylethyl)ethanamine is CC(C1CCOC1)N(C)CCN1CCNCC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-N-(2-piperazin-1-ylethyl)ethanamine?
The InChIKey is RMJKAKSLNAABGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12(13-3-10-17-11-13)15(2)8-9-16-6-4-14-5-7-16/h12-14H,3-11H2,1-2H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-N-(2-piperazin-1-ylethyl)ethanamine?
N-methyl-1-(oxolan-3-yl)-N-(2-piperazin-1-ylethyl)ethanamine has a molecular weight of 241.38 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-N-(2-piperazin-1-ylethyl)ethanamine is sourced from PubChem (CID 113483589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).