4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid

C14H27NO4 — CID 114430814

IUPAC4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(CC(O)COC(C)C)C(C(=O)O)C1
InChIInChI=1S/C14H27NO4/c1-4-11-5-6-15(13(7-11)14(17)18)8-12(16)9-19-10(2)3/h10-13,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyPCYNOMABZGIZRL-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.35
Rot. Bonds7

About 4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid

4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid (PubChem CID 114430814) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid
PubChem CID114430814
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(CC(O)COC(C)C)C(C(=O)O)C1
InChIInChI=1S/C14H27NO4/c1-4-11-5-6-15(13(7-11)14(17)18)8-12(16)9-19-10(2)3/h10-13,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyPCYNOMABZGIZRL-UHFFFAOYSA-N
XLogP1.35
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid
CID 114430632
4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid
CID 114430884
1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid
CID 114431174
4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid
CID 114431447
4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid
CID 114431008
1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431248
1-(2-hydroxy-3-methylpentyl)azetidine-2-carboxylic acid
CID 69349562
4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid
CID 114431232
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid
CID 63989269
4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-2-carboxylic acid
CID 114431889
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114430849

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid (CID 114430814) is 4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid is CCC1CCN(CC(O)COC(C)C)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid?
The InChIKey is PCYNOMABZGIZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-4-11-5-6-15(13(7-11)14(17)18)8-12(16)9-19-10(2)3/h10-13,16H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid?
4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid has a molecular weight of 273.37 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114430814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).