1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine

C18H39N3 — CID 156749865

IUPAC1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine
SMILESCC(C)(C)N1CCCCC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H20N2.C9H19N/c1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10/h5-8H2,1-4H3;4-8H2,1-3H3
InChIKeyLJMNHHSLVGOUGS-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.30
Rot. Bonds

About 1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine

1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine (PubChem CID 156749865) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine
PubChem CID156749865
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Name1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine
SMILESCC(C)(C)N1CCCCC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H20N2.C9H19N/c1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10/h5-8H2,1-4H3;4-8H2,1-3H3
InChIKeyLJMNHHSLVGOUGS-UHFFFAOYSA-N
XLogP3.30
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine
CID 157270913
1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane
CID 159248645
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1-tert-butyl-4,7,10-trimethyl-1,4,7,10-tetrazacyclododecane;methane;zinc
CID 162271168
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane
CID 158521892
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
1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine
CID 159350660
1-tert-butyl-4-methylpiperazine;propane
CID 159466011

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine (CID 156749865) is 1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine is CC(C)(C)N1CCCCC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine?
The InChIKey is LJMNHHSLVGOUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C9H19N/c1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10/h5-8H2,1-4H3;4-8H2,1-3H3.
What are the key properties of 1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine?
1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine has a molecular weight of 297.53 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine is sourced from PubChem (CID 156749865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).