1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol

C15H31NO3 — CID 106991971

IUPAC1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31NO3/c1-15(2,3)13-5-7-16(8-6-13)11-14(17)12-19-10-9-18-4/h13-14,17H,5-12H2,1-4H3
InChIKeyRVDNOGAXCFNAGO-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.77
Rot. Bonds7

About 1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol

1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106991971) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106991971
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31NO3/c1-15(2,3)13-5-7-16(8-6-13)11-14(17)12-19-10-9-18-4/h13-14,17H,5-12H2,1-4H3
InChIKeyRVDNOGAXCFNAGO-UHFFFAOYSA-N
XLogP1.77
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol (CID 106991971) is 1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is RVDNOGAXCFNAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-15(2,3)13-5-7-16(8-6-13)11-14(17)12-19-10-9-18-4/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 273.42 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106991971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).