2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine

C15H30N2 — CID 114421617

IUPAC2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine
SMILESCCC1(CC)CCN(CC2CC(C)CCN2)C1
InChIInChI=1S/C15H30N2/c1-4-15(5-2)7-9-17(12-15)11-14-10-13(3)6-8-16-14/h13-14,16H,4-12H2,1-3H3
InChIKeyFXIMUTXPWSECQB-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds4

About 2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine

2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine (PubChem CID 114421617) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine
PubChem CID114421617
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine
SMILESCCC1(CC)CCN(CC2CC(C)CCN2)C1
InChIInChI=1S/C15H30N2/c1-4-15(5-2)7-9-17(12-15)11-14-10-13(3)6-8-16-14/h13-14,16H,4-12H2,1-3H3
InChIKeyFXIMUTXPWSECQB-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methylpiperidin-2-yl)methyl]morpholine
CID 114421101
3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 131185799
1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine
CID 114421488
2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine
CID 103534656
2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine
CID 114421709
ethane;2-ethyl-4-methylpiperidine
CID 142379207
3-[(3,3-diethylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894651
2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane
CID 114421553
1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine
CID 114421147
[(2R,4S)-4-methylpiperidin-2-yl]methanol
CID 68711333
[(2R,4R)-4-methylpiperidin-2-yl]methanol
CID 68714845
2-[(3,3-diethylpyrrolidin-1-yl)methyl]-2-methylpiperidine
CID 104595182

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine?
The IUPAC name of 2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine (CID 114421617) is 2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine.
What is the SMILES notation for 2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine?
The canonical SMILES for 2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine is CCC1(CC)CCN(CC2CC(C)CCN2)C1.
What is the InChIKey of 2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine?
The InChIKey is FXIMUTXPWSECQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-15(5-2)7-9-17(12-15)11-14-10-13(3)6-8-16-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine?
2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine is sourced from PubChem (CID 114421617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).