1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol

C15H32N2O3 — CID 106988201

IUPAC1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
SMILESCNC(C)C1CCCCN1CC(O)COC(C)COC
InChIInChI=1S/C15H32N2O3/c1-12(10-19-4)20-11-14(18)9-17-8-6-5-7-15(17)13(2)16-3/h12-16,18H,5-11H2,1-4H3
InChIKeyJDAQVXYKHOHBTN-UHFFFAOYSA-N
MW288.43 g/mol
LogP0.86
Rot. Bonds9

About 1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol

1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol (PubChem CID 106988201) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
PubChem CID106988201
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
SMILESCNC(C)C1CCCCN1CC(O)COC(C)COC
InChIInChI=1S/C15H32N2O3/c1-12(10-19-4)20-11-14(18)9-17-8-6-5-7-15(17)13(2)16-3/h12-16,18H,5-11H2,1-4H3
InChIKeyJDAQVXYKHOHBTN-UHFFFAOYSA-N
XLogP0.86
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
CID 63931055
1-(2-ethylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991719
1-[2-(2-hydroxypropyl)azepan-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993188
1-[2-(2-aminoethyl)piperidin-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992593
1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one
CID 106990753
1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol
CID 106992573
1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine
CID 104646713
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992598
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid
CID 107072174
1-[2-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111107375
1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992591
1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 106989617

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol (CID 106988201) is 1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol is CNC(C)C1CCCCN1CC(O)COC(C)COC.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol?
The InChIKey is JDAQVXYKHOHBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-12(10-19-4)20-11-14(18)9-17-8-6-5-7-15(17)13(2)16-3/h12-16,18H,5-11H2,1-4H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol has a molecular weight of 288.43 g/mol, XLogP of 0.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 106988201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).