3,3-diethyl-1,2-dimethylpiperidine;ethane;propane

C16H37N — CID 165123719

IUPAC3,3-diethyl-1,2-dimethylpiperidine;ethane;propane
SMILESCC.CCC.CCC1(CC)CCCN(C)C1C
InChIInChI=1S/C11H23N.C3H8.C2H6/c1-5-11(6-2)8-7-9-12(4)10(11)3;1-3-2;1-2/h10H,5-9H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyFKOLFLAWOCNOBK-UHFFFAOYSA-N
MW243.48 g/mol
LogP5.35
Rot. Bonds2

About 3,3-diethyl-1,2-dimethylpiperidine;ethane;propane

3,3-diethyl-1,2-dimethylpiperidine;ethane;propane (PubChem CID 165123719) has the molecular formula C16H37N and a molecular weight of 243.48 g/mol. Its IUPAC name is 3,3-diethyl-1,2-dimethylpiperidine;ethane;propane.

Molecular Properties

Compound Name3,3-diethyl-1,2-dimethylpiperidine;ethane;propane
PubChem CID165123719
Molecular FormulaC16H37N
Molecular Weight243.48 g/mol
Exact Mass243.29
IUPAC Name3,3-diethyl-1,2-dimethylpiperidine;ethane;propane
SMILESCC.CCC.CCC1(CC)CCCN(C)C1C
InChIInChI=1S/C11H23N.C3H8.C2H6/c1-5-11(6-2)8-7-9-12(4)10(11)3;1-3-2;1-2/h10H,5-9H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyFKOLFLAWOCNOBK-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.48
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-amino-1,2-dimethylpiperidin-3-yl)methanol
CID 83845748
(2S)-1,2,3,3-tetramethylazepane
CID 134581550
3,3-difluoro-1,2-dimethylpyrrolidine
CID 90368643
3-(2,2-dimethylpropyl)-2-ethyl-1-methyl-3-propylpiperidine
CID 174349254
cis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane
CID 170936839
3-ethyl-1,2,3-trimethyldiazinane
CID 178101796
3-(bromomethyl)-3-ethyl-2-methyloxolane
CID 114535961
2,2-diethylcyclopentan-1-amine
CID 165447049
ethane;(2-ethyl-1-methylpyrrolidin-2-yl)methanol
CID 170726282
(2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine
CID 171827247
2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine
CID 118615709
5,8-dimethylspiro[3.4]octane;propane
CID 90899958

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1,2-dimethylpiperidine;ethane;propane?
The IUPAC name of 3,3-diethyl-1,2-dimethylpiperidine;ethane;propane (CID 165123719) is 3,3-diethyl-1,2-dimethylpiperidine;ethane;propane.
What is the SMILES notation for 3,3-diethyl-1,2-dimethylpiperidine;ethane;propane?
The canonical SMILES for 3,3-diethyl-1,2-dimethylpiperidine;ethane;propane is CC.CCC.CCC1(CC)CCCN(C)C1C.
What is the InChIKey of 3,3-diethyl-1,2-dimethylpiperidine;ethane;propane?
The InChIKey is FKOLFLAWOCNOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C3H8.C2H6/c1-5-11(6-2)8-7-9-12(4)10(11)3;1-3-2;1-2/h10H,5-9H2,1-4H3;3H2,1-2H3;1-2H3.
What are the key properties of 3,3-diethyl-1,2-dimethylpiperidine;ethane;propane?
3,3-diethyl-1,2-dimethylpiperidine;ethane;propane has a molecular weight of 243.48 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1,2-dimethylpiperidine;ethane;propane is sourced from PubChem (CID 165123719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).