2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine

C16H34N4O — CID 82887872

IUPAC2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN(CCN2CCN(C)CC2)C1
InChIInChI=1S/C16H34N4O/c1-18-7-9-19(10-8-18)11-12-20-6-3-4-16(15-20)14-17-5-13-21-2/h16-17H,3-15H2,1-2H3
InChIKeyVLWAWDUHJBGAOY-UHFFFAOYSA-N
MW298.47 g/mol
LogP0.18
Rot. Bonds8

About 2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine

2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine (PubChem CID 82887872) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine
PubChem CID82887872
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN(CCN2CCN(C)CC2)C1
InChIInChI=1S/C16H34N4O/c1-18-7-9-19(10-8-18)11-12-20-6-3-4-16(15-20)14-17-5-13-21-2/h16-17H,3-15H2,1-2H3
InChIKeyVLWAWDUHJBGAOY-UHFFFAOYSA-N
XLogP0.18
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62593435
N-[[1-(cyclopropylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591849
2-methoxy-N-[[1-(4-methylpentyl)piperidin-3-yl]methyl]ethanamine
CID 83158446
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65175473
2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine
CID 62592907
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]ethanamine
CID 62593259
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251196
1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82898983
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 82888085
N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 82925348
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylbutanamide
CID 63847458

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine (CID 82887872) is 2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine is COCCNCC1CCCN(CCN2CCN(C)CC2)C1.
What is the InChIKey of 2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine?
The InChIKey is VLWAWDUHJBGAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-18-7-9-19(10-8-18)11-12-20-6-3-4-16(15-20)14-17-5-13-21-2/h16-17H,3-15H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine?
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine has a molecular weight of 298.47 g/mol, XLogP of 0.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 82887872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).