2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine

C13H27N3O — CID 55088990

IUPAC2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)N1CCN(C)CC1
InChIInChI=1S/C13H27N3O/c1-12(16-7-5-15(2)6-8-16)10-14-11-13-4-3-9-17-13/h12-14H,3-11H2,1-2H3
InChIKeyXWHHCXOQQBYSLP-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.39
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine

2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 55088990) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID55088990
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)N1CCN(C)CC1
InChIInChI=1S/C13H27N3O/c1-12(16-7-5-15(2)6-8-16)10-14-11-13-4-3-9-17-13/h12-14H,3-11H2,1-2H3
InChIKeyXWHHCXOQQBYSLP-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55087769
2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62557461
2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63163669
2-(3-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62569537
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63192699
(2R)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pentan-1-amine
CID 28619216
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62566084
2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62568854
1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111136615
N-[2-(4-methylpiperazin-1-yl)propyl]cyclopentanamine
CID 62557293
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 129432103
N-[2-(4-methylpiperazin-1-yl)propyl]cyclohexanamine
CID 62557467

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine (CID 55088990) is 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine is CC(CNCC1CCCO1)N1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is XWHHCXOQQBYSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12(16-7-5-15(2)6-8-16)10-14-11-13-4-3-9-17-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 55088990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).