2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine

C14H31N3O — CID 112588468

IUPAC2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine
SMILESCCC(CN)N1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C14H31N3O/c1-5-13(12-15)17-8-6-16(7-9-17)10-11-18-14(2,3)4/h13H,5-12,15H2,1-4H3
InChIKeyWAQLIPPTDIWBCX-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.16
Rot. Bonds6

About 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine

2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine (PubChem CID 112588468) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine
PubChem CID112588468
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine
SMILESCCC(CN)N1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C14H31N3O/c1-5-13(12-15)17-8-6-16(7-9-17)10-11-18-14(2,3)4/h13H,5-12,15H2,1-4H3
InChIKeyWAQLIPPTDIWBCX-UHFFFAOYSA-N
XLogP1.16
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 135279301
2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine
CID 112588403
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine
CID 106675511
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol
CID 65278022
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine
CID 155296815
[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine
CID 107160540
2-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-1-amine
CID 62949855
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 59691701
1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
CID 171447106
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 63341204
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,4-dimethylpentan-1-amine
CID 62951340

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine?
The IUPAC name of 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine (CID 112588468) is 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine?
The canonical SMILES for 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine is CCC(CN)N1CCN(CCOC(C)(C)C)CC1.
What is the InChIKey of 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine?
The InChIKey is WAQLIPPTDIWBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-13(12-15)17-8-6-16(7-9-17)10-11-18-14(2,3)4/h13H,5-12,15H2,1-4H3.
What are the key properties of 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine?
2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 112588468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).