1-(4-methoxythiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride

C17H30ClNO3S — CID 3065858

IUPAC1-(4-methoxythiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCOc1cscc1OCC(O)CN1C(C)(C)CCCC1(C)C.Cl
InChIInChI=1S/C17H29NO3S.ClH/c1-16(2)7-6-8-17(3,4)18(16)9-13(19)10-21-15-12-22-11-14(15)20-5;/h11-13,19H,6-10H2,1-5H3;1H
InChIKeyNEHCTHRWIJYXAS-UHFFFAOYSA-N
MW363.95 g/mol
LogP3.96
Rot. Bonds6

About 1-(4-methoxythiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride

1-(4-methoxythiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride (PubChem CID 3065858) has the molecular formula C17H30ClNO3S and a molecular weight of 363.95 g/mol. Its IUPAC name is 1-(4-methoxythiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxythiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride
PubChem CID3065858
Molecular FormulaC17H30ClNO3S
Molecular Weight363.95 g/mol
Exact Mass363.16
IUPAC Name1-(4-methoxythiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCOc1cscc1OCC(O)CN1C(C)(C)CCCC1(C)C.Cl
InChIInChI=1S/C17H29NO3S.ClH/c1-16(2)7-6-8-17(3,4)18(16)9-13(19)10-21-15-12-22-11-14(15)20-5;/h11-13,19H,6-10H2,1-5H3;1H
InChIKeyNEHCTHRWIJYXAS-UHFFFAOYSA-N
XLogP3.96
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.95
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxythiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-methoxythiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride (CID 3065858) is 1-(4-methoxythiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-methoxythiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-methoxythiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride is COc1cscc1OCC(O)CN1C(C)(C)CCCC1(C)C.Cl.
What is the InChIKey of 1-(4-methoxythiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is NEHCTHRWIJYXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3S.ClH/c1-16(2)7-6-8-17(3,4)18(16)9-13(19)10-21-15-12-22-11-14(15)20-5;/h11-13,19H,6-10H2,1-5H3;1H.
What are the key properties of 1-(4-methoxythiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride?
1-(4-methoxythiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 363.95 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxythiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 3065858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).