1-tert-butyl-4-(2-methoxyethyl)piperazine;1-(1-tert-butylpiperidin-3-yl)ethenamine

C22H46N4O — CID 162256772

IUPAC1-tert-butyl-4-(2-methoxyethyl)piperazine;1-(1-tert-butylpiperidin-3-yl)ethenamine
SMILESC=C(N)C1CCCN(C(C)(C)C)C1.COCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H24N2O.C11H22N2/c1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-9(12)10-6-5-7-13(8-10)11(2,3)4/h5-10H2,1-4H3;10H,1,5-8,12H2,2-4H3
InChIKeyZYRUMYOKHUTVMU-UHFFFAOYSA-N
MW382.64 g/mol
LogP3.02
Rot. Bonds4

About 1-tert-butyl-4-(2-methoxyethyl)piperazine;1-(1-tert-butylpiperidin-3-yl)ethenamine

1-tert-butyl-4-(2-methoxyethyl)piperazine;1-(1-tert-butylpiperidin-3-yl)ethenamine (PubChem CID 162256772) has the molecular formula C22H46N4O and a molecular weight of 382.64 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methoxyethyl)piperazine;1-(1-tert-butylpiperidin-3-yl)ethenamine.

Molecular Properties

Compound Name1-tert-butyl-4-(2-methoxyethyl)piperazine;1-(1-tert-butylpiperidin-3-yl)ethenamine
PubChem CID162256772
Molecular FormulaC22H46N4O
Molecular Weight382.64 g/mol
Exact Mass382.37
IUPAC Name1-tert-butyl-4-(2-methoxyethyl)piperazine;1-(1-tert-butylpiperidin-3-yl)ethenamine
SMILESC=C(N)C1CCCN(C(C)(C)C)C1.COCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H24N2O.C11H22N2/c1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-9(12)10-6-5-7-13(8-10)11(2,3)4/h5-10H2,1-4H3;10H,1,5-8,12H2,2-4H3
InChIKeyZYRUMYOKHUTVMU-UHFFFAOYSA-N
XLogP3.02
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.64
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine
CID 139475119
1-tert-butylpiperidine-3-carboxamide
CID 59656300
1-(1-tert-butylpiperidin-4-yl)ethenamine
CID 142896318
1-(1-methylpiperidin-3-yl)ethenamine
CID 58035148
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanone
CID 63845115
1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine
CID 156550929
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
1-(2-methoxyethyl)azocane
CID 47014834
1-tert-butyl-N,N-dimethylpiperidine-3-carboxamide
CID 58877729
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-(2-methoxyethyl)piperazine;[(2R)-1-tert-butylpiperidin-2-yl]methanol;[(2S)-1-tert-butylpiperidin-2-yl]methanol;methyl (2R)-1-methylpiperidine-2-carboxylate;methyl (2S)-1-methylpiperidine-2-carboxylate;(2S)-1-methylpiperidine-2-carboxylic acid
CID 165050023
1-tert-butylpyrrolidine-3-carbothioamide
CID 172787377

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-methoxyethyl)piperazine;1-(1-tert-butylpiperidin-3-yl)ethenamine?
The IUPAC name of 1-tert-butyl-4-(2-methoxyethyl)piperazine;1-(1-tert-butylpiperidin-3-yl)ethenamine (CID 162256772) is 1-tert-butyl-4-(2-methoxyethyl)piperazine;1-(1-tert-butylpiperidin-3-yl)ethenamine.
What is the SMILES notation for 1-tert-butyl-4-(2-methoxyethyl)piperazine;1-(1-tert-butylpiperidin-3-yl)ethenamine?
The canonical SMILES for 1-tert-butyl-4-(2-methoxyethyl)piperazine;1-(1-tert-butylpiperidin-3-yl)ethenamine is C=C(N)C1CCCN(C(C)(C)C)C1.COCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(2-methoxyethyl)piperazine;1-(1-tert-butylpiperidin-3-yl)ethenamine?
The InChIKey is ZYRUMYOKHUTVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.C11H22N2/c1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-9(12)10-6-5-7-13(8-10)11(2,3)4/h5-10H2,1-4H3;10H,1,5-8,12H2,2-4H3.
What are the key properties of 1-tert-butyl-4-(2-methoxyethyl)piperazine;1-(1-tert-butylpiperidin-3-yl)ethenamine?
1-tert-butyl-4-(2-methoxyethyl)piperazine;1-(1-tert-butylpiperidin-3-yl)ethenamine has a molecular weight of 382.64 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-methoxyethyl)piperazine;1-(1-tert-butylpiperidin-3-yl)ethenamine is sourced from PubChem (CID 162256772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).