2-amino-1-[1-(1-hydroxyethyl)-2-pentylpiperazin-2-yl]ethanone

C13H27N3O2 — CID 174828136

IUPAC2-amino-1-[1-(1-hydroxyethyl)-2-pentylpiperazin-2-yl]ethanone
SMILESCCCCCC1(C(=O)CN)CNCCN1C(C)O
InChIInChI=1S/C13H27N3O2/c1-3-4-5-6-13(12(18)9-14)10-15-7-8-16(13)11(2)17/h11,15,17H,3-10,14H2,1-2H3
InChIKeyDNBPLNJAQXXJEC-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.08
Rot. Bonds7

About 2-amino-1-[1-(1-hydroxyethyl)-2-pentylpiperazin-2-yl]ethanone

2-amino-1-[1-(1-hydroxyethyl)-2-pentylpiperazin-2-yl]ethanone (PubChem CID 174828136) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-amino-1-[1-(1-hydroxyethyl)-2-pentylpiperazin-2-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[1-(1-hydroxyethyl)-2-pentylpiperazin-2-yl]ethanone
PubChem CID174828136
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-amino-1-[1-(1-hydroxyethyl)-2-pentylpiperazin-2-yl]ethanone
SMILESCCCCCC1(C(=O)CN)CNCCN1C(C)O
InChIInChI=1S/C13H27N3O2/c1-3-4-5-6-13(12(18)9-14)10-15-7-8-16(13)11(2)17/h11,15,17H,3-10,14H2,1-2H3
InChIKeyDNBPLNJAQXXJEC-UHFFFAOYSA-N
XLogP0.08
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[1-(1-hydroxyethyl)-2-pentylpiperazin-2-yl]ethanone?
The IUPAC name of 2-amino-1-[1-(1-hydroxyethyl)-2-pentylpiperazin-2-yl]ethanone (CID 174828136) is 2-amino-1-[1-(1-hydroxyethyl)-2-pentylpiperazin-2-yl]ethanone.
What is the SMILES notation for 2-amino-1-[1-(1-hydroxyethyl)-2-pentylpiperazin-2-yl]ethanone?
The canonical SMILES for 2-amino-1-[1-(1-hydroxyethyl)-2-pentylpiperazin-2-yl]ethanone is CCCCCC1(C(=O)CN)CNCCN1C(C)O.
What is the InChIKey of 2-amino-1-[1-(1-hydroxyethyl)-2-pentylpiperazin-2-yl]ethanone?
The InChIKey is DNBPLNJAQXXJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-4-5-6-13(12(18)9-14)10-15-7-8-16(13)11(2)17/h11,15,17H,3-10,14H2,1-2H3.
What are the key properties of 2-amino-1-[1-(1-hydroxyethyl)-2-pentylpiperazin-2-yl]ethanone?
2-amino-1-[1-(1-hydroxyethyl)-2-pentylpiperazin-2-yl]ethanone has a molecular weight of 257.38 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[1-(1-hydroxyethyl)-2-pentylpiperazin-2-yl]ethanone is sourced from PubChem (CID 174828136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).