1-(3-hydroxypropyl)piperidine-3,4-dicarboxylic acid

C10H17NO5 — CID 112568235

IUPAC1-(3-hydroxypropyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(CCCO)CC1C(=O)O
InChIInChI=1S/C10H17NO5/c12-5-1-3-11-4-2-7(9(13)14)8(6-11)10(15)16/h7-8,12H,1-6H2,(H,13,14)(H,15,16)
InChIKeyAUBMUOVLTRWQMH-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.52
Rot. Bonds5

About 1-(3-hydroxypropyl)piperidine-3,4-dicarboxylic acid

1-(3-hydroxypropyl)piperidine-3,4-dicarboxylic acid (PubChem CID 112568235) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxypropyl)piperidine-3,4-dicarboxylic acid
PubChem CID112568235
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name1-(3-hydroxypropyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(CCCO)CC1C(=O)O
InChIInChI=1S/C10H17NO5/c12-5-1-3-11-4-2-7(9(13)14)8(6-11)10(15)16/h7-8,12H,1-6H2,(H,13,14)(H,15,16)
InChIKeyAUBMUOVLTRWQMH-UHFFFAOYSA-N
XLogP-0.52
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-octylpiperidine-3,4-dicarboxylic acid
CID 115918660
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
CID 115918716
1-(2-propan-2-ylsulfonylethyl)piperidine-3,4-dicarboxylic acid
CID 106727684
(3R)-1-(3-hydroxypropyl)pyrrolidin-3-ol
CID 68991646
5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol
CID 115873446
1-(2-ethylbutyl)piperidine-3,4-dicarboxylic acid
CID 112568227
(3S,4S)-3-hydroxy-1-(3-pyrrol-1-ylpropyl)piperidine-4-carboxylic acid
CID 135103217
1-(oxan-4-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568256
1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3,4-dicarboxylic acid
CID 103004943
1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
CID 112568166
3-(3-ethylpyrrolidin-1-yl)propan-1-ol
CID 67281983
(3S,4R)-4-hydroxy-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 135107489

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(3-hydroxypropyl)piperidine-3,4-dicarboxylic acid (CID 112568235) is 1-(3-hydroxypropyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(3-hydroxypropyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(3-hydroxypropyl)piperidine-3,4-dicarboxylic acid is O=C(O)C1CCN(CCCO)CC1C(=O)O.
What is the InChIKey of 1-(3-hydroxypropyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is AUBMUOVLTRWQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c12-5-1-3-11-4-2-7(9(13)14)8(6-11)10(15)16/h7-8,12H,1-6H2,(H,13,14)(H,15,16).
What are the key properties of 1-(3-hydroxypropyl)piperidine-3,4-dicarboxylic acid?
1-(3-hydroxypropyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 231.25 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 112568235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).