2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone

C14H22N4O2 — CID 79473756

IUPAC2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
SMILESNCCOCC(=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C14H22N4O2/c15-4-10-20-12-14(19)18-8-6-17(7-9-18)11-13-3-1-2-5-16-13/h1-3,5H,4,6-12,15H2
InChIKeyMMYXHQFAIXLQBC-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.30
Rot. Bonds6

About 2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone

2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 79473756) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID79473756
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
SMILESNCCOCC(=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C14H22N4O2/c15-4-10-20-12-14(19)18-8-6-17(7-9-18)11-13-3-1-2-5-16-13/h1-3,5H,4,6-12,15H2
InChIKeyMMYXHQFAIXLQBC-UHFFFAOYSA-N
XLogP-0.30
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.30
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-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
CID 79345467
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one
CID 82013925
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 14960357
2-(3-methylphenoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 2881898
2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 60938982
1-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 139002246
2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 79472972
2-(2-aminoethoxy)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 79473499
2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 62473760
1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid
CID 62657041

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone (CID 79473756) is 2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone is NCCOCC(=O)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is MMYXHQFAIXLQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c15-4-10-20-12-14(19)18-8-6-17(7-9-18)11-13-3-1-2-5-16-13/h1-3,5H,4,6-12,15H2.
What are the key properties of 2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 278.36 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 79473756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).