N-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine

C15H32N4 — CID 106638421

IUPACN-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCN(CCN1CCN(C)CC1)CC1CCCNC1
InChIInChI=1S/C15H32N4/c1-3-18(14-15-5-4-6-16-13-15)11-12-19-9-7-17(2)8-10-19/h15-16H,3-14H2,1-2H3
InChIKeyVNUOOTKSJSLGNF-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.56
Rot. Bonds6

About N-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine

N-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 106638421) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is N-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID106638421
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC NameN-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCN(CCN1CCN(C)CC1)CC1CCCNC1
InChIInChI=1S/C15H32N4/c1-3-18(14-15-5-4-6-16-13-15)11-12-19-9-7-17(2)8-10-19/h15-16H,3-14H2,1-2H3
InChIKeyVNUOOTKSJSLGNF-UHFFFAOYSA-N
XLogP0.56
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-ethyl-N-(piperidin-3-ylmethyl)ethanamine
CID 114191629
1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane
CID 62357709
N-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106639131
N-ethyl-4-methylsulfanyl-N-(piperidin-3-ylmethyl)butan-1-amine
CID 106624526
N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106638991
N-ethyl-2-(1-methylimidazol-2-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106638427
N-ethyl-2,2-difluoro-N-(piperidin-3-ylmethyl)ethanamine
CID 106638969
1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one
CID 106640651
1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol
CID 106638403
N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 103815711
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624449

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine (CID 106638421) is N-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine is CCN(CCN1CCN(C)CC1)CC1CCCNC1.
What is the InChIKey of N-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is VNUOOTKSJSLGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-3-18(14-15-5-4-6-16-13-15)11-12-19-9-7-17(2)8-10-19/h15-16H,3-14H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine?
N-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 268.45 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106638421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).