1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine

C20H34N2O2S — CID 42245047

IUPAC1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
SMILESCOCCN1CCC(CN(Cc2ccc(C)s2)C[C@H]2CCCO2)CC1
InChIInChI=1S/C20H34N2O2S/c1-17-5-6-20(25-17)16-22(15-19-4-3-12-24-19)14-18-7-9-21(10-8-18)11-13-23-2/h5-6,18-19H,3-4,7-16H2,1-2H3/t19-/m1/s1
InChIKeyQNXUQAIJJRMJMV-LJQANCHMSA-N
MW366.57 g/mol
LogP3.40
Rot. Bonds9

About 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine

1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine (PubChem CID 42245047) has the molecular formula C20H34N2O2S and a molecular weight of 366.57 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
PubChem CID42245047
Molecular FormulaC20H34N2O2S
Molecular Weight366.57 g/mol
Exact Mass366.23
IUPAC Name1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
SMILESCOCCN1CCC(CN(Cc2ccc(C)s2)C[C@H]2CCCO2)CC1
InChIInChI=1S/C20H34N2O2S/c1-17-5-6-20(25-17)16-22(15-19-4-3-12-24-19)14-18-7-9-21(10-8-18)11-13-23-2/h5-6,18-19H,3-4,7-16H2,1-2H3/t19-/m1/s1
InChIKeyQNXUQAIJJRMJMV-LJQANCHMSA-N
XLogP3.40
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
The IUPAC name of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine (CID 42245047) is 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine.
What is the SMILES notation for 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
The canonical SMILES for 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine is COCCN1CCC(CN(Cc2ccc(C)s2)C[C@H]2CCCO2)CC1.
What is the InChIKey of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
The InChIKey is QNXUQAIJJRMJMV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H34N2O2S/c1-17-5-6-20(25-17)16-22(15-19-4-3-12-24-19)14-18-7-9-21(10-8-18)11-13-23-2/h5-6,18-19H,3-4,7-16H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine has a molecular weight of 366.57 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine is sourced from PubChem (CID 42245047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).