1-(6-hydroxyhexyl)piperidine-2-carboxylic acid

C12H23NO3 — CID 104540976

IUPAC1-(6-hydroxyhexyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CCCCCCO
InChIInChI=1S/C12H23NO3/c14-10-6-2-1-4-8-13-9-5-3-7-11(13)12(15)16/h11,14H,1-10H2,(H,15,16)
InChIKeyFUYDTQTUYHCNRV-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.48
Rot. Bonds7

About 1-(6-hydroxyhexyl)piperidine-2-carboxylic acid

1-(6-hydroxyhexyl)piperidine-2-carboxylic acid (PubChem CID 104540976) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(6-hydroxyhexyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-hydroxyhexyl)piperidine-2-carboxylic acid
PubChem CID104540976
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-(6-hydroxyhexyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CCCCCCO
InChIInChI=1S/C12H23NO3/c14-10-6-2-1-4-8-13-9-5-3-7-11(13)12(15)16/h11,14H,1-10H2,(H,15,16)
InChIKeyFUYDTQTUYHCNRV-UHFFFAOYSA-N
XLogP1.48
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxybutyl)azepane-2-carboxylic acid
CID 64563148
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone
CID 63844463
(2R)-1-butylpiperidine-2-carboxylic acid
CID 40787093
1-nonylpyrrolidine-2-carboxylic acid
CID 43441741
CID 172742310
CID 172742310
1-(4,4-dimethylpentyl)azocane-2-carboxylic acid
CID 114239890
1-(3-ethylsulfonylpropyl)azocane-2-carboxylic acid
CID 114239893
1-pentylpyrrolidine-2-carboxylic acid;sulfane
CID 174808239
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490
(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid
CID 150619819
(2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 45116058

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxyhexyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(6-hydroxyhexyl)piperidine-2-carboxylic acid (CID 104540976) is 1-(6-hydroxyhexyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-hydroxyhexyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(6-hydroxyhexyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1CCCCCCO.
What is the InChIKey of 1-(6-hydroxyhexyl)piperidine-2-carboxylic acid?
The InChIKey is FUYDTQTUYHCNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c14-10-6-2-1-4-8-13-9-5-3-7-11(13)12(15)16/h11,14H,1-10H2,(H,15,16).
What are the key properties of 1-(6-hydroxyhexyl)piperidine-2-carboxylic acid?
1-(6-hydroxyhexyl)piperidine-2-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxyhexyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104540976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).