1-(3-butylpyrrolidin-2-yl)-4-ethylpiperidine

C15H30N2 — CID 19902516

IUPAC1-(3-butylpyrrolidin-2-yl)-4-ethylpiperidine
SMILESCCCCC1CCNC1N1CCC(CC)CC1
InChIInChI=1S/C15H30N2/c1-3-5-6-14-7-10-16-15(14)17-11-8-13(4-2)9-12-17/h13-16H,3-12H2,1-2H3
InChIKeyMAOMTZBHIGECAI-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.23
Rot. Bonds5

About 1-(3-butylpyrrolidin-2-yl)-4-ethylpiperidine

1-(3-butylpyrrolidin-2-yl)-4-ethylpiperidine (PubChem CID 19902516) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-(3-butylpyrrolidin-2-yl)-4-ethylpiperidine.

Molecular Properties

Compound Name1-(3-butylpyrrolidin-2-yl)-4-ethylpiperidine
PubChem CID19902516
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-(3-butylpyrrolidin-2-yl)-4-ethylpiperidine
SMILESCCCCC1CCNC1N1CCC(CC)CC1
InChIInChI=1S/C15H30N2/c1-3-5-6-14-7-10-16-15(14)17-11-8-13(4-2)9-12-17/h13-16H,3-12H2,1-2H3
InChIKeyMAOMTZBHIGECAI-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-butylpyrrolidin-2-yl)-4-ethylpiperidine?
The IUPAC name of 1-(3-butylpyrrolidin-2-yl)-4-ethylpiperidine (CID 19902516) is 1-(3-butylpyrrolidin-2-yl)-4-ethylpiperidine.
What is the SMILES notation for 1-(3-butylpyrrolidin-2-yl)-4-ethylpiperidine?
The canonical SMILES for 1-(3-butylpyrrolidin-2-yl)-4-ethylpiperidine is CCCCC1CCNC1N1CCC(CC)CC1.
What is the InChIKey of 1-(3-butylpyrrolidin-2-yl)-4-ethylpiperidine?
The InChIKey is MAOMTZBHIGECAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-5-6-14-7-10-16-15(14)17-11-8-13(4-2)9-12-17/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-(3-butylpyrrolidin-2-yl)-4-ethylpiperidine?
1-(3-butylpyrrolidin-2-yl)-4-ethylpiperidine has a molecular weight of 238.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butylpyrrolidin-2-yl)-4-ethylpiperidine is sourced from PubChem (CID 19902516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).