4-tert-butyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine

C17H34N2O — CID 135174822

IUPAC4-tert-butyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine
SMILESCOCCN1CCC(N2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H34N2O/c1-17(2,3)15-5-11-19(12-6-15)16-7-9-18(10-8-16)13-14-20-4/h15-16H,5-14H2,1-4H3
InChIKeyDCTQNOUUMCHFCJ-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.86
Rot. Bonds4

About 4-tert-butyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine

4-tert-butyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine (PubChem CID 135174822) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-tert-butyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine
PubChem CID135174822
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-tert-butyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine
SMILESCOCCN1CCC(N2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H34N2O/c1-17(2,3)15-5-11-19(12-6-15)16-7-9-18(10-8-16)13-14-20-4/h15-16H,5-14H2,1-4H3
InChIKeyDCTQNOUUMCHFCJ-UHFFFAOYSA-N
XLogP2.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine?
The IUPAC name of 4-tert-butyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine (CID 135174822) is 4-tert-butyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine.
What is the SMILES notation for 4-tert-butyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine?
The canonical SMILES for 4-tert-butyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine is COCCN1CCC(N2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-tert-butyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine?
The InChIKey is DCTQNOUUMCHFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-17(2,3)15-5-11-19(12-6-15)16-7-9-18(10-8-16)13-14-20-4/h15-16H,5-14H2,1-4H3.
What are the key properties of 4-tert-butyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine?
4-tert-butyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine has a molecular weight of 282.47 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine is sourced from PubChem (CID 135174822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).