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

C16H34N4O — CID 82888085

IUPAC2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCCN1CCN1CCN(C)CC1
InChIInChI=1S/C16H34N4O/c1-18-8-10-19(11-9-18)12-13-20-7-4-3-5-16(20)15-17-6-14-21-2/h16-17H,3-15H2,1-2H3
InChIKeyRPWPOVZVEXAUNA-UHFFFAOYSA-N
MW298.47 g/mol
LogP0.32
Rot. Bonds8

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

2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]methyl]ethanamine (PubChem CID 82888085) 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-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]methyl]ethanamine
PubChem CID82888085
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCCN1CCN1CCN(C)CC1
InChIInChI=1S/C16H34N4O/c1-18-8-10-19(11-9-18)12-13-20-7-4-3-5-16(20)15-17-6-14-21-2/h16-17H,3-15H2,1-2H3
InChIKeyRPWPOVZVEXAUNA-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
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-(methoxymethyl)piperidin-2-yl]methyl]ethanamine
CID 65364306
N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 82887872
5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile
CID 63855313
N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
CID 113436916
N-[[1-(2-ethylbutyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 82924579
3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide
CID 63853747
2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine
CID 63853034
2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 103003262
2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62581642
N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62581300
N-cyclopropyl-2-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]acetamide
CID 55257989

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]methyl]ethanamine (CID 82888085) is 2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]methyl]ethanamine is COCCNCC1CCCCN1CCN1CCN(C)CC1.
What is the InChIKey of 2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]methyl]ethanamine?
The InChIKey is RPWPOVZVEXAUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-18-8-10-19(11-9-18)12-13-20-7-4-3-5-16(20)15-17-6-14-21-2/h16-17H,3-15H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]methyl]ethanamine has a molecular weight of 298.47 g/mol, XLogP of 0.32, 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-2-yl]methyl]ethanamine is sourced from PubChem (CID 82888085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).