3-(2,2-dimethylpropyl)-2-ethyl-1-methyl-3-propylpiperidine

C16H33N — CID 174349254

IUPAC3-(2,2-dimethylpropyl)-2-ethyl-1-methyl-3-propylpiperidine
SMILESCCCC1(CC(C)(C)C)CCCN(C)C1CC
InChIInChI=1S/C16H33N/c1-7-10-16(13-15(3,4)5)11-9-12-17(6)14(16)8-2/h14H,7-13H2,1-6H3
InChIKeyGIPVUVPSEOGIKO-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.71
Rot. Bonds4

About 3-(2,2-dimethylpropyl)-2-ethyl-1-methyl-3-propylpiperidine

3-(2,2-dimethylpropyl)-2-ethyl-1-methyl-3-propylpiperidine (PubChem CID 174349254) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2-ethyl-1-methyl-3-propylpiperidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2-ethyl-1-methyl-3-propylpiperidine
PubChem CID174349254
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name3-(2,2-dimethylpropyl)-2-ethyl-1-methyl-3-propylpiperidine
SMILESCCCC1(CC(C)(C)C)CCCN(C)C1CC
InChIInChI=1S/C16H33N/c1-7-10-16(13-15(3,4)5)11-9-12-17(6)14(16)8-2/h14H,7-13H2,1-6H3
InChIKeyGIPVUVPSEOGIKO-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-diethyl-1,2-dimethylpiperidine;ethane;propane
CID 165123719
1-tert-butyl-2,2-dimethyl-1-propylcyclobutane
CID 143779764
(2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine
CID 171827247
1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine
CID 126986369
1-butyl-2-methyl-2-propylpyrrolidine;ethane
CID 170624322
8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 164798952
1-tert-butyl-1-propylcyclohexane
CID 173344260
2-ethyl-2-propylcyclopentan-1-ol
CID 20501781
2-ethyl-4-methyl-4-azaspiro[2.4]heptane
CID 170608131
(2S)-1,2,3,3-tetramethylazepane
CID 134581550
1-[1-(2,2-dimethylpropyl)cyclopropyl]pyrrolidine
CID 155794244
1-ethyl-3-methyl-3-propylpiperidine
CID 130676337

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2-ethyl-1-methyl-3-propylpiperidine?
The IUPAC name of 3-(2,2-dimethylpropyl)-2-ethyl-1-methyl-3-propylpiperidine (CID 174349254) is 3-(2,2-dimethylpropyl)-2-ethyl-1-methyl-3-propylpiperidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2-ethyl-1-methyl-3-propylpiperidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2-ethyl-1-methyl-3-propylpiperidine is CCCC1(CC(C)(C)C)CCCN(C)C1CC.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2-ethyl-1-methyl-3-propylpiperidine?
The InChIKey is GIPVUVPSEOGIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-7-10-16(13-15(3,4)5)11-9-12-17(6)14(16)8-2/h14H,7-13H2,1-6H3.
What are the key properties of 3-(2,2-dimethylpropyl)-2-ethyl-1-methyl-3-propylpiperidine?
3-(2,2-dimethylpropyl)-2-ethyl-1-methyl-3-propylpiperidine has a molecular weight of 239.45 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2-ethyl-1-methyl-3-propylpiperidine is sourced from PubChem (CID 174349254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).