1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine

C59H128N10O — CID 158539602

IUPAC1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC(N)C1.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
InChIInChI=1S/C9H19N.C8H18N2.2C8H17N.C7H15NO.C7H15N.C6H14N2.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;1-5(2)8-3-6(7)4-8;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;5-6H,3-4,7H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyHOIWHLMTKBDYNP-UHFFFAOYSA-N
MW993.74 g/mol
LogP9.89
Rot. Bonds8

About 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;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-ylazetidin-3-amine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine (PubChem CID 158539602) has the molecular formula C59H128N10O and a molecular weight of 993.74 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;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-ylazetidin-3-amine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
PubChem CID158539602
Molecular FormulaC59H128N10O
Molecular Weight993.74 g/mol
Exact Mass993.03
IUPAC Name1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC(N)C1.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
InChIInChI=1S/C9H19N.C8H18N2.2C8H17N.C7H15NO.C7H15N.C6H14N2.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;1-5(2)8-3-6(7)4-8;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;5-6H,3-4,7H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyHOIWHLMTKBDYNP-UHFFFAOYSA-N
XLogP9.89
TPSA64.41 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500993.74
LogP ≤ 59.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;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-ylazetidin-3-amine;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-ylazetidin-3-amine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine (CID 158539602) is 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;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-ylazetidin-3-amine;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-ylazetidin-3-amine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine is CC(C)N1CC(N)C1.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-ylazetidin-3-amine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The InChIKey is HOIWHLMTKBDYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H18N2.2C8H17N.C7H15NO.C7H15N.C6H14N2.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;1-5(2)8-3-6(7)4-8;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;5-6H,3-4,7H2,1-2H3;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-ylazetidin-3-amine;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-ylazetidin-3-amine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine has a molecular weight of 993.74 g/mol, XLogP of 9.89, 8 rotatable bonds, 1 hydrogen bond donors, and 11 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-ylazetidin-3-amine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine is sourced from PubChem (CID 158539602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).