1-(5,5-dimethylpyrrolidin-3-yl)-3-methylpiperidine

C12H24N2 — CID 82014127

IUPAC1-(5,5-dimethylpyrrolidin-3-yl)-3-methylpiperidine
SMILESCC1CCCN(C2CNC(C)(C)C2)C1
InChIInChI=1S/C12H24N2/c1-10-5-4-6-14(9-10)11-7-12(2,3)13-8-11/h10-11,13H,4-9H2,1-3H3
InChIKeyDBZXMOULOCJWNF-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds1

About 1-(5,5-dimethylpyrrolidin-3-yl)-3-methylpiperidine

1-(5,5-dimethylpyrrolidin-3-yl)-3-methylpiperidine (PubChem CID 82014127) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(5,5-dimethylpyrrolidin-3-yl)-3-methylpiperidine.

Molecular Properties

Compound Name1-(5,5-dimethylpyrrolidin-3-yl)-3-methylpiperidine
PubChem CID82014127
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(5,5-dimethylpyrrolidin-3-yl)-3-methylpiperidine
SMILESCC1CCCN(C2CNC(C)(C)C2)C1
InChIInChI=1S/C12H24N2/c1-10-5-4-6-14(9-10)11-7-12(2,3)13-8-11/h10-11,13H,4-9H2,1-3H3
InChIKeyDBZXMOULOCJWNF-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5,5-dimethylpyrrolidin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 82013066
4-(5,5-dimethylpyrrolidin-3-yl)-1,4-oxazepane
CID 82014639
3-methyl-1-piperidin-4-ylpiperidine
CID 2760044
(3R)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559640
(3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559639
3-methyl-1-(5-methylpyrrolidin-3-yl)piperidine
CID 130528543
3-(5,5-dimethylpyrrolidin-3-yl)-3-azaspiro[5.5]undecane
CID 82012901
(3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane
CID 145118485
1-methyl-3-(3-methylpiperidin-1-yl)piperidine
CID 66580299
(1S,9Z)-5-[(3S)-5,5-dimethylpyrrolidin-3-yl]-1,10,13-trimethyl-5-azabicyclo[10.1.0]tridec-9-ene
CID 139423545
3-methyl-1-(4-methylpyrrolidin-3-yl)piperidine
CID 81460806
1-[1-(5,5-dimethylpyrrolidin-3-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 82015035

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylpyrrolidin-3-yl)-3-methylpiperidine?
The IUPAC name of 1-(5,5-dimethylpyrrolidin-3-yl)-3-methylpiperidine (CID 82014127) is 1-(5,5-dimethylpyrrolidin-3-yl)-3-methylpiperidine.
What is the SMILES notation for 1-(5,5-dimethylpyrrolidin-3-yl)-3-methylpiperidine?
The canonical SMILES for 1-(5,5-dimethylpyrrolidin-3-yl)-3-methylpiperidine is CC1CCCN(C2CNC(C)(C)C2)C1.
What is the InChIKey of 1-(5,5-dimethylpyrrolidin-3-yl)-3-methylpiperidine?
The InChIKey is DBZXMOULOCJWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10-5-4-6-14(9-10)11-7-12(2,3)13-8-11/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-(5,5-dimethylpyrrolidin-3-yl)-3-methylpiperidine?
1-(5,5-dimethylpyrrolidin-3-yl)-3-methylpiperidine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylpyrrolidin-3-yl)-3-methylpiperidine is sourced from PubChem (CID 82014127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).