1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane

C22H49N3O — CID 159248645

IUPAC1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane
SMILESCC(C)(C)N1CCCC1.CN1CCN(C(C)(C)C)CC1.COC(C)(C)C
InChIInChI=1S/C9H20N2.C8H17N.C5H12O/c1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)9-6-4-5-7-9;1-5(2,3)6-4/h5-8H2,1-4H3;4-7H2,1-3H3;1-4H3
InChIKeyKUZQZAIPFSHXTE-UHFFFAOYSA-N
MW371.65 g/mol
LogP4.34
Rot. Bonds

About 1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane

1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane (PubChem CID 159248645) has the molecular formula C22H49N3O and a molecular weight of 371.65 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane
PubChem CID159248645
Molecular FormulaC22H49N3O
Molecular Weight371.65 g/mol
Exact Mass371.39
IUPAC Name1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane
SMILESCC(C)(C)N1CCCC1.CN1CCN(C(C)(C)C)CC1.COC(C)(C)C
InChIInChI=1S/C9H20N2.C8H17N.C5H12O/c1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)9-6-4-5-7-9;1-5(2,3)6-4/h5-8H2,1-4H3;4-7H2,1-3H3;1-4H3
InChIKeyKUZQZAIPFSHXTE-UHFFFAOYSA-N
XLogP4.34
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.65
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine
CID 156749865
1-tert-butyl-4,7,10-trimethyl-1,4,7,10-tetrazacyclododecane;methane;zinc
CID 162271168
1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine
CID 157270913
1-tert-butyl-4-methylpiperazine;propane
CID 159466011
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine
CID 161180929
1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 160676228
1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane
CID 158280327
4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane
CID 158521892
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine
CID 159350660

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane (CID 159248645) is 1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane is CC(C)(C)N1CCCC1.CN1CCN(C(C)(C)C)CC1.COC(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane?
The InChIKey is KUZQZAIPFSHXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C8H17N.C5H12O/c1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)9-6-4-5-7-9;1-5(2,3)6-4/h5-8H2,1-4H3;4-7H2,1-3H3;1-4H3.
What are the key properties of 1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane?
1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane has a molecular weight of 371.65 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane is sourced from PubChem (CID 159248645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).