1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol

C15H26N2O2S — CID 3551676

IUPAC1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCN1CCC(N(C)CC(O)COCc2cccs2)CC1
InChIInChI=1S/C15H26N2O2S/c1-16-7-5-13(6-8-16)17(2)10-14(18)11-19-12-15-4-3-9-20-15/h3-4,9,13-14,18H,5-8,10-12H2,1-2H3
InChIKeyVQPWLQYSSFVPLU-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.65
Rot. Bonds7

About 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol

1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 3551676) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID3551676
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCN1CCC(N(C)CC(O)COCc2cccs2)CC1
InChIInChI=1S/C15H26N2O2S/c1-16-7-5-13(6-8-16)17(2)10-14(18)11-19-12-15-4-3-9-20-15/h3-4,9,13-14,18H,5-8,10-12H2,1-2H3
InChIKeyVQPWLQYSSFVPLU-UHFFFAOYSA-N
XLogP1.65
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 3551676) is 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol is CN1CCC(N(C)CC(O)COCc2cccs2)CC1.
What is the InChIKey of 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is VQPWLQYSSFVPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-16-7-5-13(6-8-16)17(2)10-14(18)11-19-12-15-4-3-9-20-15/h3-4,9,13-14,18H,5-8,10-12H2,1-2H3.
What are the key properties of 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 298.45 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 3551676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).