1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;methane

C28H62N4O — CID 158240244

IUPAC1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;methane
SMILESC.CC(C)(C)N1CCOCC1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C9H20N2.C8H17NO.CH4/c1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)9-4-6-10-7-5-9;/h9H,5-8H2,1-4H3;5-8H2,1-4H3;4-7H2,1-3H3;1H4
InChIKeyGFLMHXKDMJIAPP-UHFFFAOYSA-N
MW470.83 g/mol
LogP5.16
Rot. Bonds

About 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;methane

1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;methane (PubChem CID 158240244) has the molecular formula C28H62N4O and a molecular weight of 470.83 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;methane.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;methane
PubChem CID158240244
Molecular FormulaC28H62N4O
Molecular Weight470.83 g/mol
Exact Mass470.49
IUPAC Name1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;methane
SMILESC.CC(C)(C)N1CCOCC1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C9H20N2.C8H17NO.CH4/c1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)9-4-6-10-7-5-9;/h9H,5-8H2,1-4H3;5-8H2,1-4H3;4-7H2,1-3H3;1H4
InChIKeyGFLMHXKDMJIAPP-UHFFFAOYSA-N
XLogP5.16
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.83
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(3,9-Diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine
CID 56894471
4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine
CID 171359040
4-(2,3,3,4-Tetramethyl-5-morpholin-4-ylpentyl)morpholine
CID 135070776
4-[2-(3,3,4-Trimethylpiperidin-1-yl)ethyl]morpholine
CID 18726559
4-[2-(4-Tert-butylpiperidin-1-yl)ethyl]morpholine
CID 68267573
4-[1-[2,3-Dimethyl-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]butan-2-yl]piperidin-4-yl]morpholine
CID 130295884
4-[2-[1-[2-(4-Propan-2-ylpiperazin-1-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine
CID 131978342
4-[3-[1-[2,3-Dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-yl]-4-methylpiperazin-2-yl]-2-methylpropyl]morpholine
CID 134186165
4-[2-Methyl-3-[1-methyl-4-(2-methylbutan-2-yl)piperazin-2-yl]propyl]morpholine
CID 134186187
4-[2-[2-Methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine
CID 134600355
4-[1-[1-(2,2-Dimethylpropyl)piperidin-4-yl]-2-methylpropan-2-yl]morpholine
CID 135219170
N,N-dimethyl-1-[4-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)pentan-2-yl]piperidin-4-amine
CID 135257228

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;methane?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;methane (CID 158240244) is 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;methane.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;methane?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;methane is C.CC(C)(C)N1CCOCC1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;methane?
The InChIKey is GFLMHXKDMJIAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H20N2.C8H17NO.CH4/c1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)9-4-6-10-7-5-9;/h9H,5-8H2,1-4H3;5-8H2,1-4H3;4-7H2,1-3H3;1H4.
What are the key properties of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;methane?
1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;methane has a molecular weight of 470.83 g/mol, XLogP of 5.16, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;methane is sourced from PubChem (CID 158240244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).