2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine

C14H31N3O2 — CID 66180437

IUPAC2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
SMILESCOC(OC)C(C)(CN)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H31N3O2/c1-13(2,3)16-7-9-17(10-8-16)14(4,11-15)12(18-5)19-6/h12H,7-11,15H2,1-6H3
InChIKeyQXUMQYUXLRMZFQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP0.74
Rot. Bonds5

About 2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine

2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine (PubChem CID 66180437) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
PubChem CID66180437
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
SMILESCOC(OC)C(C)(CN)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H31N3O2/c1-13(2,3)16-7-9-17(10-8-16)14(4,11-15)12(18-5)19-6/h12H,7-11,15H2,1-6H3
InChIKeyQXUMQYUXLRMZFQ-UHFFFAOYSA-N
XLogP0.74
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66181213
2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66178856
3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114537586
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 115559360
2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180628
2-(azetidin-1-yl)-2,3-dimethylbutan-1-amine
CID 84716627
2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180835
(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine
CID 94197824
methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate
CID 61432891
4-(4-tert-butylpiperazin-1-yl)pentan-1-amine
CID 62463192
1-tert-butyl-4-(fluoromethyl)piperazine
CID 171581155
2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180240

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine (CID 66180437) is 2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine is COC(OC)C(C)(CN)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The InChIKey is QXUMQYUXLRMZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-13(2,3)16-7-9-17(10-8-16)14(4,11-15)12(18-5)19-6/h12H,7-11,15H2,1-6H3.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 66180437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).