1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine

C24H50N2 — CID 169241986

IUPAC1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine
SMILESCC(C)CC1CCCN(CC(C)C)C1.CCN1CCCC(CC(C)C)C1
InChIInChI=1S/C13H27N.C11H23N/c1-11(2)8-13-6-5-7-14(10-13)9-12(3)4;1-4-12-7-5-6-11(9-12)8-10(2)3/h11-13H,5-10H2,1-4H3;10-11H,4-9H2,1-3H3
InChIKeyHYICXTUYGYTQCU-UHFFFAOYSA-N
MW366.68 g/mol
LogP6.16
Rot. Bonds7

About 1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine

1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine (PubChem CID 169241986) has the molecular formula C24H50N2 and a molecular weight of 366.68 g/mol. Its IUPAC name is 1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine
PubChem CID169241986
Molecular FormulaC24H50N2
Molecular Weight366.68 g/mol
Exact Mass366.40
IUPAC Name1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine
SMILESCC(C)CC1CCCN(CC(C)C)C1.CCN1CCCC(CC(C)C)C1
InChIInChI=1S/C13H27N.C11H23N/c1-11(2)8-13-6-5-7-14(10-13)9-12(3)4;1-4-12-7-5-6-11(9-12)8-10(2)3/h11-13H,5-10H2,1-4H3;10-11H,4-9H2,1-3H3
InChIKeyHYICXTUYGYTQCU-UHFFFAOYSA-N
XLogP6.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.68
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-(Propane-1,3-diyl)bis(1-methylpiperidine)
CID 116563
9-Butyl-9-ethyl-3,7-dihexyl-3,7-diazabicyclo[3.3.1]nonane
CID 10809691
2,2,6,6-Tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine
CID 46232835
Piperidine, 1,1'-(2,4-hexadiyne-1,6-diyl)bis(2,2,6,6-tetramethyl-
CID 3039332
1-Piperidinepropanenitrile, 4,4'-(1,3-propanediyl)bis-
CID 87465
(1R,4R,9aS)-1-ethyl-4-hexyl-octahydro-1H-quinolizine
CID 44442623
2,2,6,6-Tetramethyl-1-[10-(2,2,6,6-tetramethylpiperidin-1-yl)decyl]piperidine
CID 46232797
2,2,6,6-Tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine
CID 46232834
1-Methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride
CID 11539395
1-Methyl-4-(1-pentadecylpiperidin-4-yl)piperidine;dihydrochloride
CID 11583539
1-Methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;dihydrochloride
CID 11641730
1-Heptadecyl-4-(1-methylpiperidin-4-yl)piperidine;dihydrochloride
CID 11691716

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine?
The IUPAC name of 1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine (CID 169241986) is 1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine.
What is the SMILES notation for 1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine?
The canonical SMILES for 1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine is CC(C)CC1CCCN(CC(C)C)C1.CCN1CCCC(CC(C)C)C1.
What is the InChIKey of 1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine?
The InChIKey is HYICXTUYGYTQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.C11H23N/c1-11(2)8-13-6-5-7-14(10-13)9-12(3)4;1-4-12-7-5-6-11(9-12)8-10(2)3/h11-13H,5-10H2,1-4H3;10-11H,4-9H2,1-3H3.
What are the key properties of 1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine?
1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine has a molecular weight of 366.68 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine is sourced from PubChem (CID 169241986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).