1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine

C39H86N8O — CID 159813885

IUPAC1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine
SMILESCC(C)(C)N1CCOCC1.CC(C)(C)NCCN1CCCCC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(CCNC(C)(C)C)CC1
InChIInChI=1S/C11H25N3.C11H24N2.C9H20N2.C8H17NO/c1-11(2,3)12-5-6-14-9-7-13(4)8-10-14;1-11(2,3)12-7-10-13-8-5-4-6-9-13;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)9-4-6-10-7-5-9/h12H,5-10H2,1-4H3;12H,4-10H2,1-3H3;5-8H2,1-4H3;4-7H2,1-3H3
InChIKeyNLJHOUGOXOTDCO-UHFFFAOYSA-N
MW683.17 g/mol
LogP4.63
Rot. Bonds6

About 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine

1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine (PubChem CID 159813885) has the molecular formula C39H86N8O and a molecular weight of 683.17 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine
PubChem CID159813885
Molecular FormulaC39H86N8O
Molecular Weight683.17 g/mol
Exact Mass682.69
IUPAC Name1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine
SMILESCC(C)(C)N1CCOCC1.CC(C)(C)NCCN1CCCCC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(CCNC(C)(C)C)CC1
InChIInChI=1S/C11H25N3.C11H24N2.C9H20N2.C8H17NO/c1-11(2,3)12-5-6-14-9-7-13(4)8-10-14;1-11(2,3)12-7-10-13-8-5-4-6-9-13;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)9-4-6-10-7-5-9/h12H,5-10H2,1-4H3;12H,4-10H2,1-3H3;5-8H2,1-4H3;4-7H2,1-3H3
InChIKeyNLJHOUGOXOTDCO-UHFFFAOYSA-N
XLogP4.63
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500683.17
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine (CID 159813885) is 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine is CC(C)(C)N1CCOCC1.CC(C)(C)NCCN1CCCCC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(CCNC(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine?
The InChIKey is NLJHOUGOXOTDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3.C11H24N2.C9H20N2.C8H17NO/c1-11(2,3)12-5-6-14-9-7-13(4)8-10-14;1-11(2,3)12-7-10-13-8-5-4-6-9-13;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)9-4-6-10-7-5-9/h12H,5-10H2,1-4H3;12H,4-10H2,1-3H3;5-8H2,1-4H3;4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine?
1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine has a molecular weight of 683.17 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine is sourced from PubChem (CID 159813885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).