1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid

C14H27NO5 — CID 107072174

IUPAC1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid
SMILESCOCC(C)OCC(O)CN1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H27NO5/c1-10-5-4-6-15(13(10)14(17)18)7-12(16)9-20-11(2)8-19-3/h10-13,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyFZJKCEWPNLXBGI-UHFFFAOYSA-N
MW289.37 g/mol
LogP0.58
Rot. Bonds8

About 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid

1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107072174) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107072174
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid
SMILESCOCC(C)OCC(O)CN1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H27NO5/c1-10-5-4-6-15(13(10)14(17)18)7-12(16)9-20-11(2)8-19-3/h10-13,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyFZJKCEWPNLXBGI-UHFFFAOYSA-N
XLogP0.58
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992598
1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one
CID 106990753
1-(2-ethylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991719
1-[2-(2-aminoethyl)piperidin-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992593
1-[2-(2-hydroxypropyl)azepan-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993188
1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
CID 106988201
3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid
CID 107072437
2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid
CID 106991498
1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol
CID 106992573
1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992591
methyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate
CID 106992909
1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069695

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid (CID 107072174) is 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid is COCC(C)OCC(O)CN1CCCC(C)C1C(=O)O.
What is the InChIKey of 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is FZJKCEWPNLXBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-10-5-4-6-15(13(10)14(17)18)7-12(16)9-20-11(2)8-19-3/h10-13,16H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid?
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 289.37 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107072174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).