1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)pyrrolidine

C41H87N5O — CID 158578545

IUPAC1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)pyrrolidine
SMILESCC(C)(C)CN1CCCC1.CC(C)(C)CN1CCCCC1.CC(C)(C)CN1CCN(C(C)(C)C)CC1.CC(C)(C)CN1CCOCC1
InChIInChI=1S/C13H28N2.C10H21N.C9H19NO.C9H19N/c1-12(2,3)11-14-7-9-15(10-8-14)13(4,5)6;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)8-10-4-6-11-7-5-10;1-9(2,3)8-10-6-4-5-7-10/h7-11H2,1-6H3;4-9H2,1-3H3;4-8H2,1-3H3;4-8H2,1-3H3
InChIKeyHSYRNJKVUZHNFK-UHFFFAOYSA-N
MW666.18 g/mol
LogP8.46
Rot. Bonds4

About 1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)pyrrolidine

1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)pyrrolidine (PubChem CID 158578545) has the molecular formula C41H87N5O and a molecular weight of 666.18 g/mol. Its IUPAC name is 1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)pyrrolidine
PubChem CID158578545
Molecular FormulaC41H87N5O
Molecular Weight666.18 g/mol
Exact Mass665.69
IUPAC Name1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)pyrrolidine
SMILESCC(C)(C)CN1CCCC1.CC(C)(C)CN1CCCCC1.CC(C)(C)CN1CCN(C(C)(C)C)CC1.CC(C)(C)CN1CCOCC1
InChIInChI=1S/C13H28N2.C10H21N.C9H19NO.C9H19N/c1-12(2,3)11-14-7-9-15(10-8-14)13(4,5)6;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)8-10-4-6-11-7-5-10;1-9(2,3)8-10-6-4-5-7-10/h7-11H2,1-6H3;4-9H2,1-3H3;4-8H2,1-3H3;4-8H2,1-3H3
InChIKeyHSYRNJKVUZHNFK-UHFFFAOYSA-N
XLogP8.46
TPSA25.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.18
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)pyrrolidine?
The IUPAC name of 1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)pyrrolidine (CID 158578545) is 1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)pyrrolidine.
What is the SMILES notation for 1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)pyrrolidine?
The canonical SMILES for 1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)pyrrolidine is CC(C)(C)CN1CCCC1.CC(C)(C)CN1CCCCC1.CC(C)(C)CN1CCN(C(C)(C)C)CC1.CC(C)(C)CN1CCOCC1.
What is the InChIKey of 1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)pyrrolidine?
The InChIKey is HSYRNJKVUZHNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.C10H21N.C9H19NO.C9H19N/c1-12(2,3)11-14-7-9-15(10-8-14)13(4,5)6;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)8-10-4-6-11-7-5-10;1-9(2,3)8-10-6-4-5-7-10/h7-11H2,1-6H3;4-9H2,1-3H3;4-8H2,1-3H3;4-8H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)pyrrolidine?
1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)pyrrolidine has a molecular weight of 666.18 g/mol, XLogP of 8.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)pyrrolidine is sourced from PubChem (CID 158578545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).