2-methyl-5-(3-methylbutyl)piperidine

C11H23N — CID 104823506

IUPAC2-methyl-5-(3-methylbutyl)piperidine
SMILESCC(C)CCC1CCC(C)NC1
InChIInChI=1S/C11H23N/c1-9(2)4-6-11-7-5-10(3)12-8-11/h9-12H,4-8H2,1-3H3
InChIKeyKZBKQONPLQBQGY-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds3

About 2-methyl-5-(3-methylbutyl)piperidine

2-methyl-5-(3-methylbutyl)piperidine (PubChem CID 104823506) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-methyl-5-(3-methylbutyl)piperidine.

Molecular Properties

Compound Name2-methyl-5-(3-methylbutyl)piperidine
PubChem CID104823506
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-methyl-5-(3-methylbutyl)piperidine
SMILESCC(C)CCC1CCC(C)NC1
InChIInChI=1S/C11H23N/c1-9(2)4-6-11-7-5-10(3)12-8-11/h9-12H,4-8H2,1-3H3
InChIKeyKZBKQONPLQBQGY-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

2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol
CID 172701028
(1S)-1-methyl-3-(3-methylbutyl)cyclopentane
CID 148998562
(5R)-5-ethyl-2-methylpiperidine
CID 89383563
5-(3-methoxypropyl)-2-methylpiperidine
CID 106781710
[(3R,6S)-6-methylpiperidin-3-yl]methanol
CID 96581848
[(3S,6S)-6-methylpiperidin-3-yl]methanol;hydrochloride
CID 166105009
5-(3-methoxy-3-methylbutyl)-2-methylpiperidine
CID 106777707
3-(3-methylbutyl)piperidine
CID 53409753
methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate
CID 155820793
1-methoxy-4-(3-methylbutyl)cyclohexane
CID 167069345
2-[(3S)-6-methylpiperidin-3-yl]acetonitrile
CID 159706761
3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 131097789

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylbutyl)piperidine?
The IUPAC name of 2-methyl-5-(3-methylbutyl)piperidine (CID 104823506) is 2-methyl-5-(3-methylbutyl)piperidine.
What is the SMILES notation for 2-methyl-5-(3-methylbutyl)piperidine?
The canonical SMILES for 2-methyl-5-(3-methylbutyl)piperidine is CC(C)CCC1CCC(C)NC1.
What is the InChIKey of 2-methyl-5-(3-methylbutyl)piperidine?
The InChIKey is KZBKQONPLQBQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-9(2)4-6-11-7-5-10(3)12-8-11/h9-12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-5-(3-methylbutyl)piperidine?
2-methyl-5-(3-methylbutyl)piperidine 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-5-(3-methylbutyl)piperidine is sourced from PubChem (CID 104823506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).