2-butan-2-yl-4-ethylpiperidine

C11H23N — CID 79444187

IUPAC2-butan-2-yl-4-ethylpiperidine
SMILESCCC1CCNC(C(C)CC)C1
InChIInChI=1S/C11H23N/c1-4-9(3)11-8-10(5-2)6-7-12-11/h9-12H,4-8H2,1-3H3
InChIKeyXETVEBYWHYSENW-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds3

About 2-butan-2-yl-4-ethylpiperidine

2-butan-2-yl-4-ethylpiperidine (PubChem CID 79444187) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-butan-2-yl-4-ethylpiperidine.

Molecular Properties

Compound Name2-butan-2-yl-4-ethylpiperidine
PubChem CID79444187
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-butan-2-yl-4-ethylpiperidine
SMILESCCC1CCNC(C(C)CC)C1
InChIInChI=1S/C11H23N/c1-4-9(3)11-8-10(5-2)6-7-12-11/h9-12H,4-8H2,1-3H3
InChIKeyXETVEBYWHYSENW-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-ethylpiperidin-2-yl)pentane-2,4-dione
CID 114425874
(4-ethylpiperidin-2-yl)-pyrrolidin-2-ylmethanol
CID 106639933
(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
(2R)-2-butan-2-ylpiperidine
CID 145087457
1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol
CID 106676148
2-butan-2-ylpyrrolidine;molecular hydrogen
CID 145307773
[4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol
CID 115525040
N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 114430810
N-butan-2-yl-N,4-diethylpiperidine-2-carboxamide
CID 114428039
3-butan-2-yl-1-(cyclopentylmethyl)-7-methyl-1,4-diazepane
CID 64871545
4-ethylpiperidine-2-carbonitrile
CID 56972748
1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol
CID 114426002

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-ethylpiperidine?
The IUPAC name of 2-butan-2-yl-4-ethylpiperidine (CID 79444187) is 2-butan-2-yl-4-ethylpiperidine.
What is the SMILES notation for 2-butan-2-yl-4-ethylpiperidine?
The canonical SMILES for 2-butan-2-yl-4-ethylpiperidine is CCC1CCNC(C(C)CC)C1.
What is the InChIKey of 2-butan-2-yl-4-ethylpiperidine?
The InChIKey is XETVEBYWHYSENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-9(3)11-8-10(5-2)6-7-12-11/h9-12H,4-8H2,1-3H3.
What are the key properties of 2-butan-2-yl-4-ethylpiperidine?
2-butan-2-yl-4-ethylpiperidine has a molecular weight of 169.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-ethylpiperidine is sourced from PubChem (CID 79444187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).