1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane

C57H129N7O — CID 161019378

IUPAC1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
SMILESC.C.C.C.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C9H20N2.2C9H19N.C8H17NO.C8H17N.4CH4/c1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11;2*1-9(2,3)10-7-5-4-6-8-10;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*4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4*1H4
InChIKeyTYDVZSNHQZPNIB-UHFFFAOYSA-N
MW928.71 g/mol
LogP13.49
Rot. Bonds

About 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane

1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane (PubChem CID 161019378) has the molecular formula C57H129N7O and a molecular weight of 928.71 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
PubChem CID161019378
Molecular FormulaC57H129N7O
Molecular Weight928.71 g/mol
Exact Mass928.03
IUPAC Name1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
SMILESC.C.C.C.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C9H20N2.2C9H19N.C8H17NO.C8H17N.4CH4/c1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11;2*1-9(2,3)10-7-5-4-6-8-10;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*4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4*1H4
InChIKeyTYDVZSNHQZPNIB-UHFFFAOYSA-N
XLogP13.49
TPSA31.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.71
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

CID 160970847
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CID 157482074
CID 157482074
CID 157596719
CID 157596719
CID 157984683
CID 157984683
CID 157992290
CID 157992290
CID 158060027
CID 158060027
CID 158201045
CID 158201045
CID 158210029
CID 158210029
CID 158240244
CID 158240244
CID 158379207
CID 158379207
CID 158503598
CID 158503598

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane (CID 161019378) is 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane is C.C.C.C.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.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;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane?
The InChIKey is TYDVZSNHQZPNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H20N2.2C9H19N.C8H17NO.C8H17N.4CH4/c1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11;2*1-9(2,3)10-7-5-4-6-8-10;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*4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4*1H4.
What are the key properties of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane?
1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane has a molecular weight of 928.71 g/mol, XLogP of 13.49, 0 rotatable bonds, 0 hydrogen bond donors, and 8 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;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane is sourced from PubChem (CID 161019378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).