1-(2,3-dimethylbutyl)-3-methylpiperidine

C12H25N — CID 174315397

IUPAC1-(2,3-dimethylbutyl)-3-methylpiperidine
SMILESCC1CCCN(CC(C)C(C)C)C1
InChIInChI=1S/C12H25N/c1-10(2)12(4)9-13-7-5-6-11(3)8-13/h10-12H,5-9H2,1-4H3
InChIKeyQIEDUYYQEIJBBZ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.01
Rot. Bonds3

About 1-(2,3-dimethylbutyl)-3-methylpiperidine

1-(2,3-dimethylbutyl)-3-methylpiperidine (PubChem CID 174315397) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-(2,3-dimethylbutyl)-3-methylpiperidine.

Molecular Properties

Compound Name1-(2,3-dimethylbutyl)-3-methylpiperidine
PubChem CID174315397
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-(2,3-dimethylbutyl)-3-methylpiperidine
SMILESCC1CCCN(CC(C)C(C)C)C1
InChIInChI=1S/C12H25N/c1-10(2)12(4)9-13-7-5-6-11(3)8-13/h10-12H,5-9H2,1-4H3
InChIKeyQIEDUYYQEIJBBZ-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylpiperidin-1-yl)propan-2-ol
CID 60886125
1-(3-methylpiperidin-1-yl)propane-2-sulfinate
CID 174657450
3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine
CID 62574451
1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine
CID 116679193
1-(2,3-dimethylbutyl)-6-methyl-1,4-diazepane
CID 64599289
2-amino-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 64797165
methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
CID 93035160
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide
CID 91662016
ethane;1-ethyl-3-methylpiperidine
CID 91361629
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 54944272
2-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
CID 119863261

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutyl)-3-methylpiperidine?
The IUPAC name of 1-(2,3-dimethylbutyl)-3-methylpiperidine (CID 174315397) is 1-(2,3-dimethylbutyl)-3-methylpiperidine.
What is the SMILES notation for 1-(2,3-dimethylbutyl)-3-methylpiperidine?
The canonical SMILES for 1-(2,3-dimethylbutyl)-3-methylpiperidine is CC1CCCN(CC(C)C(C)C)C1.
What is the InChIKey of 1-(2,3-dimethylbutyl)-3-methylpiperidine?
The InChIKey is QIEDUYYQEIJBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)12(4)9-13-7-5-6-11(3)8-13/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-(2,3-dimethylbutyl)-3-methylpiperidine?
1-(2,3-dimethylbutyl)-3-methylpiperidine has a molecular weight of 183.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutyl)-3-methylpiperidine is sourced from PubChem (CID 174315397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).