1-tert-butyl-4-methylpiperazine;1-(1-ethylpiperidin-4-yl)-N,N-dimethylmethanamine;propane

C22H50N4 — CID 143900023

IUPAC1-tert-butyl-4-methylpiperazine;1-(1-ethylpiperidin-4-yl)-N,N-dimethylmethanamine;propane
SMILESCCC.CCN1CCC(CN(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H22N2.C9H20N2.C3H8/c1-4-12-7-5-10(6-8-12)9-11(2)3;1-9(2,3)11-7-5-10(4)6-8-11;1-3-2/h10H,4-9H2,1-3H3;5-8H2,1-4H3;3H2,1-2H3
InChIKeyAJYGJUWRJWAUTM-UHFFFAOYSA-N
MW370.67 g/mol
LogP3.73
Rot. Bonds3

About 1-tert-butyl-4-methylpiperazine;1-(1-ethylpiperidin-4-yl)-N,N-dimethylmethanamine;propane

1-tert-butyl-4-methylpiperazine;1-(1-ethylpiperidin-4-yl)-N,N-dimethylmethanamine;propane (PubChem CID 143900023) has the molecular formula C22H50N4 and a molecular weight of 370.67 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;1-(1-ethylpiperidin-4-yl)-N,N-dimethylmethanamine;propane.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;1-(1-ethylpiperidin-4-yl)-N,N-dimethylmethanamine;propane
PubChem CID143900023
Molecular FormulaC22H50N4
Molecular Weight370.67 g/mol
Exact Mass370.40
IUPAC Name1-tert-butyl-4-methylpiperazine;1-(1-ethylpiperidin-4-yl)-N,N-dimethylmethanamine;propane
SMILESCCC.CCN1CCC(CN(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H22N2.C9H20N2.C3H8/c1-4-12-7-5-10(6-8-12)9-11(2)3;1-9(2,3)11-7-5-10(4)6-8-11;1-3-2/h10H,4-9H2,1-3H3;5-8H2,1-4H3;3H2,1-2H3
InChIKeyAJYGJUWRJWAUTM-UHFFFAOYSA-N
XLogP3.73
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;1-(1-ethylpiperidin-4-yl)-N,N-dimethylmethanamine;propane?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;1-(1-ethylpiperidin-4-yl)-N,N-dimethylmethanamine;propane (CID 143900023) is 1-tert-butyl-4-methylpiperazine;1-(1-ethylpiperidin-4-yl)-N,N-dimethylmethanamine;propane.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;1-(1-ethylpiperidin-4-yl)-N,N-dimethylmethanamine;propane?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;1-(1-ethylpiperidin-4-yl)-N,N-dimethylmethanamine;propane is CCC.CCN1CCC(CN(C)C)CC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;1-(1-ethylpiperidin-4-yl)-N,N-dimethylmethanamine;propane?
The InChIKey is AJYGJUWRJWAUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C9H20N2.C3H8/c1-4-12-7-5-10(6-8-12)9-11(2)3;1-9(2,3)11-7-5-10(4)6-8-11;1-3-2/h10H,4-9H2,1-3H3;5-8H2,1-4H3;3H2,1-2H3.
What are the key properties of 1-tert-butyl-4-methylpiperazine;1-(1-ethylpiperidin-4-yl)-N,N-dimethylmethanamine;propane?
1-tert-butyl-4-methylpiperazine;1-(1-ethylpiperidin-4-yl)-N,N-dimethylmethanamine;propane has a molecular weight of 370.67 g/mol, XLogP of 3.73, 3 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-(1-ethylpiperidin-4-yl)-N,N-dimethylmethanamine;propane is sourced from PubChem (CID 143900023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).