2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine

C14H30N4 — CID 115230410

IUPAC2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
SMILESCN1CCC(CCNCCN2CCNCC2)CC1
InChIInChI=1S/C14H30N4/c1-17-9-3-14(4-10-17)2-5-15-6-11-18-12-7-16-8-13-18/h14-16H,2-13H2,1H3
InChIKeyJTPUMCUGBSTQBF-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.21
Rot. Bonds6

About 2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine

2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine (PubChem CID 115230410) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
PubChem CID115230410
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
SMILESCN1CCC(CCNCCN2CCNCC2)CC1
InChIInChI=1S/C14H30N4/c1-17-9-3-14(4-10-17)2-5-15-6-11-18-12-7-16-8-13-18/h14-16H,2-13H2,1H3
InChIKeyJTPUMCUGBSTQBF-UHFFFAOYSA-N
XLogP0.21
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine
CID 115230617
2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 115210457
N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine
CID 115230614
N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine
CID 115230561
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol
CID 115224308
[2-(1-methylpiperidin-4-yl)ethylamino]methanol
CID 115229407
3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 115876275
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylethanamine
CID 63236887
1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine
CID 115230482
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
CID 22706682

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine (CID 115230410) is 2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine is CN1CCC(CCNCCN2CCNCC2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine?
The InChIKey is JTPUMCUGBSTQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-17-9-3-14(4-10-17)2-5-15-6-11-18-12-7-16-8-13-18/h14-16H,2-13H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine?
2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine has a molecular weight of 254.42 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine is sourced from PubChem (CID 115230410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).