3-ethyl-3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]piperidine

C15H30N2 — CID 83219848

IUPAC3-ethyl-3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]piperidine
SMILESCCC1CCC(C)N1CC1(CC)CCCNC1
InChIInChI=1S/C15H30N2/c1-4-14-8-7-13(3)17(14)12-15(5-2)9-6-10-16-11-15/h13-14,16H,4-12H2,1-3H3
InChIKeyZYZYDMKWOFCKEP-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds4

About 3-ethyl-3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]piperidine

3-ethyl-3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]piperidine (PubChem CID 83219848) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-ethyl-3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name3-ethyl-3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]piperidine
PubChem CID83219848
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-ethyl-3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]piperidine
SMILESCCC1CCC(C)N1CC1(CC)CCCNC1
InChIInChI=1S/C15H30N2/c1-4-14-8-7-13(3)17(14)12-15(5-2)9-6-10-16-11-15/h13-14,16H,4-12H2,1-3H3
InChIKeyZYZYDMKWOFCKEP-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]piperidine?
The IUPAC name of 3-ethyl-3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]piperidine (CID 83219848) is 3-ethyl-3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]piperidine.
What is the SMILES notation for 3-ethyl-3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]piperidine?
The canonical SMILES for 3-ethyl-3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]piperidine is CCC1CCC(C)N1CC1(CC)CCCNC1.
What is the InChIKey of 3-ethyl-3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]piperidine?
The InChIKey is ZYZYDMKWOFCKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-14-8-7-13(3)17(14)12-15(5-2)9-6-10-16-11-15/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 3-ethyl-3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]piperidine?
3-ethyl-3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]piperidine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]piperidine is sourced from PubChem (CID 83219848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).