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

C71H152N10O — CID 158498599

IUPAC1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCCN1.CC(C)C1CCCN(C)C1.CC(C)C1CCCNC1.CC(C)C1CCN(C)C1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1
InChIInChI=1S/C9H19N.C8H18N2.5C8H17N.C7H15NO.C7H15N/c1-8(2)9-5-4-6-10(3)7-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-4-5-9(3)6-8;1-7(2)8-4-3-5-9-6-8;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyHJPIGQPYRGPZNV-UHFFFAOYSA-N
MW1162.07 g/mol
LogP13.63
Rot. Bonds9

About 1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 158498599) has the molecular formula C71H152N10O and a molecular weight of 1162.07 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID158498599
Molecular FormulaC71H152N10O
Molecular Weight1162.07 g/mol
Exact Mass1161.22
IUPAC Name1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCCN1.CC(C)C1CCCN(C)C1.CC(C)C1CCCNC1.CC(C)C1CCN(C)C1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1
InChIInChI=1S/C9H19N.C8H18N2.5C8H17N.C7H15NO.C7H15N/c1-8(2)9-5-4-6-10(3)7-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-4-5-9(3)6-8;1-7(2)8-4-3-5-9-6-8;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyHJPIGQPYRGPZNV-UHFFFAOYSA-N
XLogP13.63
TPSA59.21 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001162.07
LogP ≤ 513.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-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;1-methyl-3-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of 1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 158498599) is 1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for 1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is CC(C)C1CCCCN1.CC(C)C1CCCN(C)C1.CC(C)C1CCCNC1.CC(C)C1CCN(C)C1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.
What is the InChIKey of 1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is HJPIGQPYRGPZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H18N2.5C8H17N.C7H15NO.C7H15N/c1-8(2)9-5-4-6-10(3)7-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-4-5-9(3)6-8;1-7(2)8-4-3-5-9-6-8;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 1162.07 g/mol, XLogP of 13.63, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 158498599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).