2-methyl-3-pentan-3-ylpiperidine

C11H23N — CID 131002347

IUPAC2-methyl-3-pentan-3-ylpiperidine
SMILESCCC(CC)C1CCCNC1C
InChIInChI=1S/C11H23N/c1-4-10(5-2)11-7-6-8-12-9(11)3/h9-12H,4-8H2,1-3H3
InChIKeyBOQFZARBIQSFFI-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds3

About 2-methyl-3-pentan-3-ylpiperidine

2-methyl-3-pentan-3-ylpiperidine (PubChem CID 131002347) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-methyl-3-pentan-3-ylpiperidine.

Molecular Properties

Compound Name2-methyl-3-pentan-3-ylpiperidine
PubChem CID131002347
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-methyl-3-pentan-3-ylpiperidine
SMILESCCC(CC)C1CCCNC1C
InChIInChI=1S/C11H23N/c1-4-10(5-2)11-7-6-8-12-9(11)3/h9-12H,4-8H2,1-3H3
InChIKeyBOQFZARBIQSFFI-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

(2S)-2-pentan-3-ylpiperidine
CID 7048107
2-pentan-3-ylpiperidine
CID 4527381
(3R)-2,3-dimethylpiperidine
CID 118133422
1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
CID 172641162
3-tert-butyl-2-methylpiperidine
CID 91446438
1-butan-2-yl-2-pentan-3-ylcyclopentane
CID 123672278
2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide
CID 130763419
(2-methylpiperidin-3-yl)methanol
CID 19019552
(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
(2S,3R)-2-methyl-3-(trifluoromethyl)piperidine
CID 95366782
2-methylpyrrolidine
CID 13003
2-methylpyrrolidine
CID 142041388

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pentan-3-ylpiperidine?
The IUPAC name of 2-methyl-3-pentan-3-ylpiperidine (CID 131002347) is 2-methyl-3-pentan-3-ylpiperidine.
What is the SMILES notation for 2-methyl-3-pentan-3-ylpiperidine?
The canonical SMILES for 2-methyl-3-pentan-3-ylpiperidine is CCC(CC)C1CCCNC1C.
What is the InChIKey of 2-methyl-3-pentan-3-ylpiperidine?
The InChIKey is BOQFZARBIQSFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-10(5-2)11-7-6-8-12-9(11)3/h9-12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-3-pentan-3-ylpiperidine?
2-methyl-3-pentan-3-ylpiperidine 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-methyl-3-pentan-3-ylpiperidine is sourced from PubChem (CID 131002347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).