4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine

C14H28N2 — CID 63715030

IUPAC4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine
SMILESCCC1(C)CCN(CC2CNCC2C)CC1
InChIInChI=1S/C14H28N2/c1-4-14(3)5-7-16(8-6-14)11-13-10-15-9-12(13)2/h12-13,15H,4-11H2,1-3H3
InChIKeyUSLGKLGMAGUBTF-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.35
Rot. Bonds3

About 4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine

4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine (PubChem CID 63715030) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine
PubChem CID63715030
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine
SMILESCCC1(C)CCN(CC2CNCC2C)CC1
InChIInChI=1S/C14H28N2/c1-4-14(3)5-7-16(8-6-14)11-13-10-15-9-12(13)2/h12-13,15H,4-11H2,1-3H3
InChIKeyUSLGKLGMAGUBTF-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine?
The IUPAC name of 4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine (CID 63715030) is 4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine.
What is the SMILES notation for 4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine?
The canonical SMILES for 4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine is CCC1(C)CCN(CC2CNCC2C)CC1.
What is the InChIKey of 4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine?
The InChIKey is USLGKLGMAGUBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-14(3)5-7-16(8-6-14)11-13-10-15-9-12(13)2/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine?
4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine has a molecular weight of 224.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine is sourced from PubChem (CID 63715030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).