1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C30H65N5O — CID 158022627

IUPAC1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H18N2.C8H17N.C7H15NO.C7H15N/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyFGFTXGYPKHIPPZ-UHFFFAOYSA-N
MW511.88 g/mol
LogP4.74
Rot. Bonds4

About 1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 158022627) has the molecular formula C30H65N5O and a molecular weight of 511.88 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID158022627
Molecular FormulaC30H65N5O
Molecular Weight511.88 g/mol
Exact Mass511.52
IUPAC Name1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H18N2.C8H17N.C7H15NO.C7H15N/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyFGFTXGYPKHIPPZ-UHFFFAOYSA-N
XLogP4.74
TPSA25.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.88
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of 1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 158022627) is 1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for 1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.
What is the InChIKey of 1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is FGFTXGYPKHIPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C8H17N.C7H15NO.C7H15N/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 511.88 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 158022627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).