1-tert-butyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine

C15H30N2O — CID 135174709

IUPAC1-tert-butyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine
SMILESCOC1CCN(CC2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C15H30N2O/c1-15(2,3)17-9-5-13(6-10-17)11-16-8-7-14(12-16)18-4/h13-14H,5-12H2,1-4H3
InChIKeyQALHBTIQZULYBG-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.22
Rot. Bonds3

About 1-tert-butyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine

1-tert-butyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine (PubChem CID 135174709) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-tert-butyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine
PubChem CID135174709
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-tert-butyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine
SMILESCOC1CCN(CC2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C15H30N2O/c1-15(2,3)17-9-5-13(6-10-17)11-16-8-7-14(12-16)18-4/h13-14H,5-12H2,1-4H3
InChIKeyQALHBTIQZULYBG-UHFFFAOYSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine?
The IUPAC name of 1-tert-butyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine (CID 135174709) is 1-tert-butyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine?
The canonical SMILES for 1-tert-butyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine is COC1CCN(CC2CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-tert-butyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine?
The InChIKey is QALHBTIQZULYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,3)17-9-5-13(6-10-17)11-16-8-7-14(12-16)18-4/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine?
1-tert-butyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine has a molecular weight of 254.42 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine is sourced from PubChem (CID 135174709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).