2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone

C12H25N3O2 — CID 94265647

IUPAC2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
SMILESCC(C)OCCCN1CCN(C(=O)CN)CC1
InChIInChI=1S/C12H25N3O2/c1-11(2)17-9-3-4-14-5-7-15(8-6-14)12(16)10-13/h11H,3-10,13H2,1-2H3
InChIKeyBPKMSAXZQMSFMZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.10
Rot. Bonds6

About 2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone

2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone (PubChem CID 94265647) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
PubChem CID94265647
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
SMILESCC(C)OCCCN1CCN(C(=O)CN)CC1
InChIInChI=1S/C12H25N3O2/c1-11(2)17-9-3-4-14-5-7-15(8-6-14)12(16)10-13/h11H,3-10,13H2,1-2H3
InChIKeyBPKMSAXZQMSFMZ-UHFFFAOYSA-N
XLogP-0.10
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
CID 171735482
1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
CID 170569689
2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone
CID 176777461
3-amino-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119891709
4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine
CID 54958213
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 2756453
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 170371299
potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone
CID 167519739
1-[4-(4-aminobutyl)piperazin-1-yl]-3-methylbutan-1-one
CID 43251848
4-[4-(2-propan-2-yloxyethyl)-1,4-diazepan-1-yl]butan-1-amine
CID 54958260
2-morpholin-4-yl-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 55506472

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone (CID 94265647) is 2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone is CC(C)OCCCN1CCN(C(=O)CN)CC1.
What is the InChIKey of 2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone?
The InChIKey is BPKMSAXZQMSFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-11(2)17-9-3-4-14-5-7-15(8-6-14)12(16)10-13/h11H,3-10,13H2,1-2H3.
What are the key properties of 2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone?
2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone has a molecular weight of 243.35 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 94265647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).