2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine

C14H31N3O — CID 103226580

IUPAC2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNCC(COC)N1CCN(CC)C(C)C1
InChIInChI=1S/C14H31N3O/c1-5-7-15-10-14(12-18-4)17-9-8-16(6-2)13(3)11-17/h13-15H,5-12H2,1-4H3
InChIKeyCSOPVJSZFYATLV-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.03
Rot. Bonds8

About 2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine

2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine (PubChem CID 103226580) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine
PubChem CID103226580
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNCC(COC)N1CCN(CC)C(C)C1
InChIInChI=1S/C14H31N3O/c1-5-7-15-10-14(12-18-4)17-9-8-16(6-2)13(3)11-17/h13-15H,5-12H2,1-4H3
InChIKeyCSOPVJSZFYATLV-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.03
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-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 103226498
N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine
CID 103226506
3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 103227415
3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 103226527
2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103225146
N-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine
CID 103227271
3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 103225133
2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103226962
N-[2-(4-ethyl-3-methylpiperazin-1-yl)propyl]pentan-2-amine
CID 63621701
N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 103227359
N-[2-(2-ethylthiomorpholin-4-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103227294
N-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103226570

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine?
The IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine (CID 103226580) is 2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine is CCCNCC(COC)N1CCN(CC)C(C)C1.
What is the InChIKey of 2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine?
The InChIKey is CSOPVJSZFYATLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-7-15-10-14(12-18-4)17-9-8-16(6-2)13(3)11-17/h13-15H,5-12H2,1-4H3.
What are the key properties of 2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine?
2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 103226580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).