4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine

C13H29N3O — CID 54958213

IUPAC4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine
SMILESCC(C)OCCN1CCN(CCCCN)CC1
InChIInChI=1S/C13H29N3O/c1-13(2)17-12-11-16-9-7-15(8-10-16)6-4-3-5-14/h13H,3-12,14H2,1-2H3
InChIKeyHBHBSFRGKRWQNB-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.77
Rot. Bonds8

About 4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine

4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine (PubChem CID 54958213) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine
PubChem CID54958213
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine
SMILESCC(C)OCCN1CCN(CCCCN)CC1
InChIInChI=1S/C13H29N3O/c1-13(2)17-12-11-16-9-7-15(8-10-16)6-4-3-5-14/h13H,3-12,14H2,1-2H3
InChIKeyHBHBSFRGKRWQNB-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine 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

4-[4-(2-propan-2-yloxyethyl)-1,4-diazepan-1-yl]butan-1-amine
CID 54958260
3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 79594001
4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine
CID 83155485
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
CID 94265647
[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methanamine
CID 61485123
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
CID 174573387
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine
CID 65176138
1-cyclopropyl-4-(2-propan-2-yloxyethyl)piperazine
CID 166028340
4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
CID 43252810

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine (CID 54958213) is 4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine is CC(C)OCCN1CCN(CCCCN)CC1.
What is the InChIKey of 4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine?
The InChIKey is HBHBSFRGKRWQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-13(2)17-12-11-16-9-7-15(8-10-16)6-4-3-5-14/h13H,3-12,14H2,1-2H3.
What are the key properties of 4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine?
4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 54958213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).