ethane;4-ethyl-1,4-dimethylpiperidine;1-methylpiperidine;1-methylpyrrolidine

C22H49N3 — CID 142061645

IUPACethane;4-ethyl-1,4-dimethylpiperidine;1-methylpiperidine;1-methylpyrrolidine
SMILESCC.CCC1(C)CCN(C)CC1.CN1CCCC1.CN1CCCCC1
InChIInChI=1S/C9H19N.C6H13N.C5H11N.C2H6/c1-4-9(2)5-7-10(3)8-6-9;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-2/h4-8H2,1-3H3;2-6H2,1H3;2-5H2,1H3;1-2H3
InChIKeyCCEOEDKITSHXMT-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.97
Rot. Bonds1

About ethane;4-ethyl-1,4-dimethylpiperidine;1-methylpiperidine;1-methylpyrrolidine

ethane;4-ethyl-1,4-dimethylpiperidine;1-methylpiperidine;1-methylpyrrolidine (PubChem CID 142061645) has the molecular formula C22H49N3 and a molecular weight of 355.66 g/mol. Its IUPAC name is ethane;4-ethyl-1,4-dimethylpiperidine;1-methylpiperidine;1-methylpyrrolidine.

Molecular Properties

Compound Nameethane;4-ethyl-1,4-dimethylpiperidine;1-methylpiperidine;1-methylpyrrolidine
PubChem CID142061645
Molecular FormulaC22H49N3
Molecular Weight355.66 g/mol
Exact Mass355.39
IUPAC Nameethane;4-ethyl-1,4-dimethylpiperidine;1-methylpiperidine;1-methylpyrrolidine
SMILESCC.CCC1(C)CCN(C)CC1.CN1CCCC1.CN1CCCCC1
InChIInChI=1S/C9H19N.C6H13N.C5H11N.C2H6/c1-4-9(2)5-7-10(3)8-6-9;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-2/h4-8H2,1-3H3;2-6H2,1H3;2-5H2,1H3;1-2H3
InChIKeyCCEOEDKITSHXMT-UHFFFAOYSA-N
XLogP4.97
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1,4-dimethylpiperidine;1-methylpiperidine;1-methylpyrrolidine?
The IUPAC name of ethane;4-ethyl-1,4-dimethylpiperidine;1-methylpiperidine;1-methylpyrrolidine (CID 142061645) is ethane;4-ethyl-1,4-dimethylpiperidine;1-methylpiperidine;1-methylpyrrolidine.
What is the SMILES notation for ethane;4-ethyl-1,4-dimethylpiperidine;1-methylpiperidine;1-methylpyrrolidine?
The canonical SMILES for ethane;4-ethyl-1,4-dimethylpiperidine;1-methylpiperidine;1-methylpyrrolidine is CC.CCC1(C)CCN(C)CC1.CN1CCCC1.CN1CCCCC1.
What is the InChIKey of ethane;4-ethyl-1,4-dimethylpiperidine;1-methylpiperidine;1-methylpyrrolidine?
The InChIKey is CCEOEDKITSHXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C6H13N.C5H11N.C2H6/c1-4-9(2)5-7-10(3)8-6-9;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-2/h4-8H2,1-3H3;2-6H2,1H3;2-5H2,1H3;1-2H3.
What are the key properties of ethane;4-ethyl-1,4-dimethylpiperidine;1-methylpiperidine;1-methylpyrrolidine?
ethane;4-ethyl-1,4-dimethylpiperidine;1-methylpiperidine;1-methylpyrrolidine has a molecular weight of 355.66 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1,4-dimethylpiperidine;1-methylpiperidine;1-methylpyrrolidine is sourced from PubChem (CID 142061645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).