[4-(2-aminoethyl)piperazin-1-yl]methanone

C7H14N3O+ — CID 163757589

IUPAC[4-(2-aminoethyl)piperazin-1-yl]methanone
SMILESNCCN1CCN([C+]=O)CC1
InChIInChI=1S/C7H14N3O/c8-1-2-9-3-5-10(7-11)6-4-9/h1-6,8H2/q+1
InChIKeyLVKPHSVTOOQJNS-UHFFFAOYSA-N
MW156.21 g/mol
LogP-1.37
Rot. Bonds3

About [4-(2-aminoethyl)piperazin-1-yl]methanone

[4-(2-aminoethyl)piperazin-1-yl]methanone (PubChem CID 163757589) has the molecular formula C7H14N3O+ and a molecular weight of 156.21 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperazin-1-yl]methanone
PubChem CID163757589
Molecular FormulaC7H14N3O+
Molecular Weight156.21 g/mol
Exact Mass156.11
IUPAC Name[4-(2-aminoethyl)piperazin-1-yl]methanone
SMILESNCCN1CCN([C+]=O)CC1
InChIInChI=1S/C7H14N3O/c8-1-2-9-3-5-10(7-11)6-4-9/h1-6,8H2/q+1
InChIKeyLVKPHSVTOOQJNS-UHFFFAOYSA-N
XLogP-1.37
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 5-1.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine
CID 80698853
2-(aziridin-1-yl)ethanamine;dichloronickel
CID 15821369
2-(4-iodopiperazin-1-yl)ethanamine
CID 89179522
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
2-(4-cyclopropylsulfonylpiperazin-1-yl)ethanamine
CID 45496791
1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine
CID 45117280
2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride
CID 167741748
2-(4-ethylsulfonylpiperazin-1-yl)ethanamine
CID 28705822
5-[4-(2-aminoethyl)piperazin-1-yl]pentanamide
CID 176925582
2-[4-(2-aminoethyl)piperazin-1-yl]ethanamine;phosphono dihydrogen phosphate
CID 118556690
methane;2-piperidin-1-ylethanamine
CID 158303452
2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine
CID 130322012

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]methanone (CID 163757589) is [4-(2-aminoethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(2-aminoethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(2-aminoethyl)piperazin-1-yl]methanone is NCCN1CCN([C+]=O)CC1.
What is the InChIKey of [4-(2-aminoethyl)piperazin-1-yl]methanone?
The InChIKey is LVKPHSVTOOQJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N3O/c8-1-2-9-3-5-10(7-11)6-4-9/h1-6,8H2/q+1.
What are the key properties of [4-(2-aminoethyl)piperazin-1-yl]methanone?
[4-(2-aminoethyl)piperazin-1-yl]methanone has a molecular weight of 156.21 g/mol, XLogP of -1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 163757589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).