1-butan-2-yl-3-ethyl-2-methylpiperidine

C12H25N — CID 123374996

IUPAC1-butan-2-yl-3-ethyl-2-methylpiperidine
SMILESCCC1CCCN(C(C)CC)C1C
InChIInChI=1S/C12H25N/c1-5-10(3)13-9-7-8-12(6-2)11(13)4/h10-12H,5-9H2,1-4H3
InChIKeyBCLUYRQHXXYNOB-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds3

About 1-butan-2-yl-3-ethyl-2-methylpiperidine

1-butan-2-yl-3-ethyl-2-methylpiperidine (PubChem CID 123374996) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-butan-2-yl-3-ethyl-2-methylpiperidine.

Molecular Properties

Compound Name1-butan-2-yl-3-ethyl-2-methylpiperidine
PubChem CID123374996
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-butan-2-yl-3-ethyl-2-methylpiperidine
SMILESCCC1CCCN(C(C)CC)C1C
InChIInChI=1S/C12H25N/c1-5-10(3)13-9-7-8-12(6-2)11(13)4/h10-12H,5-9H2,1-4H3
InChIKeyBCLUYRQHXXYNOB-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-2-methylpyrrolidine;ethane
CID 166157977
1-butan-2-yl-2-cyclopropylpyrrolidine
CID 131083099
1-butan-2-yl-2-fluoropyrrolidine
CID 167204489
(2S)-1-[(2R)-butan-2-yl]pyrrolidine-2-carbaldehyde
CID 89079851
1-butan-2-ylpyrrolidine-2-carboxamide
CID 131201186
4-(2,3-dimethylpiperidin-1-yl)pentan-2-amine
CID 64707838
(3aR,7aR)-1-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 130978480
3-(1-butan-2-ylpyrrolidin-2-yl)piperidine
CID 66272787
N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 79456261
1-(1-butan-2-ylpiperidin-2-yl)ethanol
CID 130747081
2-butan-2-yl-2-azabicyclo[3.1.0]hexane
CID 130976839
1-(1-cyclopropylethyl)-2-ethylpyrrolidine
CID 166157923

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-ethyl-2-methylpiperidine?
The IUPAC name of 1-butan-2-yl-3-ethyl-2-methylpiperidine (CID 123374996) is 1-butan-2-yl-3-ethyl-2-methylpiperidine.
What is the SMILES notation for 1-butan-2-yl-3-ethyl-2-methylpiperidine?
The canonical SMILES for 1-butan-2-yl-3-ethyl-2-methylpiperidine is CCC1CCCN(C(C)CC)C1C.
What is the InChIKey of 1-butan-2-yl-3-ethyl-2-methylpiperidine?
The InChIKey is BCLUYRQHXXYNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-10(3)13-9-7-8-12(6-2)11(13)4/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-butan-2-yl-3-ethyl-2-methylpiperidine?
1-butan-2-yl-3-ethyl-2-methylpiperidine has a molecular weight of 183.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-ethyl-2-methylpiperidine is sourced from PubChem (CID 123374996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).