2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine

C14H31N3O — CID 112588403

IUPAC2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine
SMILESCC(CN)CN1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C14H31N3O/c1-13(11-15)12-17-7-5-16(6-8-17)9-10-18-14(2,3)4/h13H,5-12,15H2,1-4H3
InChIKeyBFDRWJOEKFDZBS-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.01
Rot. Bonds6

About 2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine

2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine (PubChem CID 112588403) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine
PubChem CID112588403
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine
SMILESCC(CN)CN1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C14H31N3O/c1-13(11-15)12-17-7-5-16(6-8-17)9-10-18-14(2,3)4/h13H,5-12,15H2,1-4H3
InChIKeyBFDRWJOEKFDZBS-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine
CID 112588468
3-[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine
CID 43457112
1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 135279301
2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine
CID 113326267
tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
CID 43251933
2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine
CID 43252936
2-methyl-3-[4-[3-(2,2,2-trifluoroethoxy)propyl]-1,4-diazepan-1-yl]propan-1-amine
CID 61491188
2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 43252914
5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol
CID 62227302
[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine
CID 107160540
2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine
CID 106722640

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine (CID 112588403) is 2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine is CC(CN)CN1CCN(CCOC(C)(C)C)CC1.
What is the InChIKey of 2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine?
The InChIKey is BFDRWJOEKFDZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-13(11-15)12-17-7-5-16(6-8-17)9-10-18-14(2,3)4/h13H,5-12,15H2,1-4H3.
What are the key properties of 2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine?
2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 112588403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).