1,2-dimethylpiperidine;1,3-dimethylpiperidine;ethane;1-methyl-2-propan-2-ylpyrrolidine

C24H53N3 — CID 143169639

IUPAC1,2-dimethylpiperidine;1,3-dimethylpiperidine;ethane;1-methyl-2-propan-2-ylpyrrolidine
SMILESCC.CC(C)C1CCCN1C.CC1CCCCN1C.CC1CCCN(C)C1
InChIInChI=1S/C8H17N.2C7H15N.C2H6/c1-7(2)8-5-4-6-9(8)3;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-2/h7-8H,4-6H2,1-3H3;2*7H,3-6H2,1-2H3;1-2H3
InChIKeyXPODCEKPUWAFCJ-UHFFFAOYSA-N
MW383.71 g/mol
LogP5.60
Rot. Bonds1

About 1,2-dimethylpiperidine;1,3-dimethylpiperidine;ethane;1-methyl-2-propan-2-ylpyrrolidine

1,2-dimethylpiperidine;1,3-dimethylpiperidine;ethane;1-methyl-2-propan-2-ylpyrrolidine (PubChem CID 143169639) has the molecular formula C24H53N3 and a molecular weight of 383.71 g/mol. Its IUPAC name is 1,2-dimethylpiperidine;1,3-dimethylpiperidine;ethane;1-methyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1,2-dimethylpiperidine;1,3-dimethylpiperidine;ethane;1-methyl-2-propan-2-ylpyrrolidine
PubChem CID143169639
Molecular FormulaC24H53N3
Molecular Weight383.71 g/mol
Exact Mass383.42
IUPAC Name1,2-dimethylpiperidine;1,3-dimethylpiperidine;ethane;1-methyl-2-propan-2-ylpyrrolidine
SMILESCC.CC(C)C1CCCN1C.CC1CCCCN1C.CC1CCCN(C)C1
InChIInChI=1S/C8H17N.2C7H15N.C2H6/c1-7(2)8-5-4-6-9(8)3;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-2/h7-8H,4-6H2,1-3H3;2*7H,3-6H2,1-2H3;1-2H3
InChIKeyXPODCEKPUWAFCJ-UHFFFAOYSA-N
XLogP5.60
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.71
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpiperidine;1,3-dimethylpiperidine;ethane;1-methyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 1,2-dimethylpiperidine;1,3-dimethylpiperidine;ethane;1-methyl-2-propan-2-ylpyrrolidine (CID 143169639) is 1,2-dimethylpiperidine;1,3-dimethylpiperidine;ethane;1-methyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1,2-dimethylpiperidine;1,3-dimethylpiperidine;ethane;1-methyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1,2-dimethylpiperidine;1,3-dimethylpiperidine;ethane;1-methyl-2-propan-2-ylpyrrolidine is CC.CC(C)C1CCCN1C.CC1CCCCN1C.CC1CCCN(C)C1.
What is the InChIKey of 1,2-dimethylpiperidine;1,3-dimethylpiperidine;ethane;1-methyl-2-propan-2-ylpyrrolidine?
The InChIKey is XPODCEKPUWAFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.2C7H15N.C2H6/c1-7(2)8-5-4-6-9(8)3;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-2/h7-8H,4-6H2,1-3H3;2*7H,3-6H2,1-2H3;1-2H3.
What are the key properties of 1,2-dimethylpiperidine;1,3-dimethylpiperidine;ethane;1-methyl-2-propan-2-ylpyrrolidine?
1,2-dimethylpiperidine;1,3-dimethylpiperidine;ethane;1-methyl-2-propan-2-ylpyrrolidine has a molecular weight of 383.71 g/mol, XLogP of 5.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpiperidine;1,3-dimethylpiperidine;ethane;1-methyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 143169639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).