1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine

C53H114N8O — CID 160733891

IUPAC1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C9H19N.C8H18N2.2C8H17N.C7H15NO.C7H15N.C6H13N/c2*1-8(2)10-6-4-9(3)5-7-10;2*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;1-6(2)7-4-3-5-7/h8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyRURVODCKTRDXEX-UHFFFAOYSA-N
MW879.55 g/mol
LogP9.85
Rot. Bonds7

About 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine

1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine (PubChem CID 160733891) has the molecular formula C53H114N8O and a molecular weight of 879.55 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
PubChem CID160733891
Molecular FormulaC53H114N8O
Molecular Weight879.55 g/mol
Exact Mass878.91
IUPAC Name1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C9H19N.C8H18N2.2C8H17N.C7H15NO.C7H15N.C6H13N/c2*1-8(2)10-6-4-9(3)5-7-10;2*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;1-6(2)7-4-3-5-7/h8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyRURVODCKTRDXEX-UHFFFAOYSA-N
XLogP9.85
TPSA35.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.55
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The IUPAC name of 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine (CID 160733891) is 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The canonical SMILES for 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine is CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC1CCN(C(C)C)CC1.
What is the InChIKey of 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The InChIKey is RURVODCKTRDXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H18N2.2C8H17N.C7H15NO.C7H15N.C6H13N/c2*1-8(2)10-6-4-9(3)5-7-10;2*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;1-6(2)7-4-3-5-7/h8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine has a molecular weight of 879.55 g/mol, XLogP of 9.85, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine is sourced from PubChem (CID 160733891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).