1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine

C71H150N8O2 — CID 161444991

IUPAC1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)C1CCOCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CN1CCC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.CN1CCCC1C(C)(C)C.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C9H20N2.3C9H19N.C9H18O.C8H17NO.C8H17N/c1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h9H,5-8H2,1-4H3;5-8H2,1-4H3;2*8H,5-7H2,1-4H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyVZTVGMPNPJVVSC-UHFFFAOYSA-N
MW1148.03 g/mol
LogP15.25
Rot. Bonds

About 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine

1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine (PubChem CID 161444991) has the molecular formula C71H150N8O2 and a molecular weight of 1148.03 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine
PubChem CID161444991
Molecular FormulaC71H150N8O2
Molecular Weight1148.03 g/mol
Exact Mass1147.19
IUPAC Name1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)C1CCOCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CN1CCC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.CN1CCCC1C(C)(C)C.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C9H20N2.3C9H19N.C9H18O.C8H17NO.C8H17N/c1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h9H,5-8H2,1-4H3;5-8H2,1-4H3;2*8H,5-7H2,1-4H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyVZTVGMPNPJVVSC-UHFFFAOYSA-N
XLogP15.25
TPSA44.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001148.03
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine (CID 161444991) is 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine is CC(C)(C)C1CCOCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CN1CCC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.CN1CCCC1C(C)(C)C.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The InChIKey is VZTVGMPNPJVVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H20N2.3C9H19N.C9H18O.C8H17NO.C8H17N/c1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h9H,5-8H2,1-4H3;5-8H2,1-4H3;2*8H,5-7H2,1-4H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine has a molecular weight of 1148.03 g/mol, XLogP of 15.25, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine is sourced from PubChem (CID 161444991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).