3-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine

C13H27N3O — CID 43203736

IUPAC3-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine
SMILESCN1CCN(CCCNCC2CCOC2)CC1
InChIInChI=1S/C13H27N3O/c1-15-6-8-16(9-7-15)5-2-4-14-11-13-3-10-17-12-13/h13-14H,2-12H2,1H3
InChIKeyIGLLDBPTXLYXHS-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.25
Rot. Bonds6

About 3-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine

3-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine (PubChem CID 43203736) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine
PubChem CID43203736
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine
SMILESCN1CCN(CCCNCC2CCOC2)CC1
InChIInChI=1S/C13H27N3O/c1-15-6-8-16(9-7-15)5-2-4-14-11-13-3-10-17-12-13/h13-14H,2-12H2,1H3
InChIKeyIGLLDBPTXLYXHS-UHFFFAOYSA-N
XLogP0.25
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(Oxolan-3-yl)methyl]piperazine
CID 13742285
9-Methyl-2-oxa-6,9-diazaspiro(4.5)decane
CID 121207667
N-methyl-1-((oxolan-3-yl)methyl)piperidin-4-amine dihydrochloride
CID 54594204
6-Methyl-2-oxa-6,9-diazaspiro[4.5]decane
CID 84021039
N-{[(3R,4S)-4-amino-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl]methyl}-N,N-dimethylamine
CID 91910974
N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 54594205
N-(oxolan-3-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 62575080
N-methyl-1-[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methanamine
CID 62968454
N-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methyl]ethanamine
CID 62968455
1-(Oxolan-3-ylmethyl)-2-(trifluoromethyl)piperazine
CID 115101256
1-[(3-Fluorooxolan-3-yl)methyl]piperazine
CID 126845925
N'-(oxolan-3-ylmethyl)propane-1,3-diamine
CID 10909843

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine (CID 43203736) is 3-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine is CN1CCN(CCCNCC2CCOC2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine?
The InChIKey is IGLLDBPTXLYXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15-6-8-16(9-7-15)5-2-4-14-11-13-3-10-17-12-13/h13-14H,2-12H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine?
3-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 43203736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).