1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine

C21H43N3O — CID 146548352

IUPAC1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine
SMILESCC(C)(C)CN1CCC(COCCN2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C21H43N3O/c1-20(2,3)18-23-9-7-19(8-10-23)17-25-16-15-22-11-13-24(14-12-22)21(4,5)6/h19H,7-18H2,1-6H3
InChIKeyQOWDNRCHDPIAEC-UHFFFAOYSA-N
MW353.60 g/mol
LogP3.18
Rot. Bonds6

About 1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine

1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine (PubChem CID 146548352) has the molecular formula C21H43N3O and a molecular weight of 353.60 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine
PubChem CID146548352
Molecular FormulaC21H43N3O
Molecular Weight353.60 g/mol
Exact Mass353.34
IUPAC Name1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine
SMILESCC(C)(C)CN1CCC(COCCN2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C21H43N3O/c1-20(2,3)18-23-9-7-19(8-10-23)17-25-16-15-22-11-13-24(14-12-22)21(4,5)6/h19H,7-18H2,1-6H3
InChIKeyQOWDNRCHDPIAEC-UHFFFAOYSA-N
XLogP3.18
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine
CID 139545698
1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine
CID 166875797
1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine
CID 166875795
1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine
CID 155244121
1-[2-(cyclopropylmethoxy)ethyl]-N-methylpiperidin-4-amine
CID 103815473
1-tert-butyl-4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine
CID 171446821
1-tert-butyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine
CID 135167668
1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine
CID 176983279
1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine
CID 139475119
1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;1-tert-butyl-4-[2-(5,5-dimethylhexoxy)ethyl]piperazine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-tert-butyl-N-(7,7-dimethyloctyl)-N-methylpiperidin-4-amine;1-tert-butyl-4-[3-(4,4-dimethylpentoxy)propyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;1,4-ditert-butylpiperazine
CID 159108032
1-[[1-[2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethyl]azetidin-3-yl]methoxy]-4,4-dimethylpentan-3-one
CID 153437026
4-methyl-1-[2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine
CID 176982806

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine (CID 146548352) is 1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine is CC(C)(C)CN1CCC(COCCN2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine?
The InChIKey is QOWDNRCHDPIAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N3O/c1-20(2,3)18-23-9-7-19(8-10-23)17-25-16-15-22-11-13-24(14-12-22)21(4,5)6/h19H,7-18H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine?
1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine has a molecular weight of 353.60 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine is sourced from PubChem (CID 146548352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).