3-(6-hydroxyhexyl)piperidine-3-carboxylic acid

C12H23NO3 — CID 107704736

IUPAC3-(6-hydroxyhexyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1(CCCCCCO)CCCNC1
InChIInChI=1S/C12H23NO3/c14-9-4-2-1-3-6-12(11(15)16)7-5-8-13-10-12/h13-14H,1-10H2,(H,15,16)
InChIKeyQVLHDOXONNCRGT-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.38
Rot. Bonds7

About 3-(6-hydroxyhexyl)piperidine-3-carboxylic acid

3-(6-hydroxyhexyl)piperidine-3-carboxylic acid (PubChem CID 107704736) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(6-hydroxyhexyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(6-hydroxyhexyl)piperidine-3-carboxylic acid
PubChem CID107704736
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-(6-hydroxyhexyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1(CCCCCCO)CCCNC1
InChIInChI=1S/C12H23NO3/c14-9-4-2-1-3-6-12(11(15)16)7-5-8-13-10-12/h13-14H,1-10H2,(H,15,16)
InChIKeyQVLHDOXONNCRGT-UHFFFAOYSA-N
XLogP1.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(6-hydroxyhexyl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxybutyl)piperidine-3-carboxylic acid
CID 104648540
4-(5-hydroxypentyl)piperidine-4-carboxylic acid
CID 79424853
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
3-hexylpyrrolidine-3-carboxylic acid
CID 63140617
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961
3-(aminomethyl)piperidine-3-carboxylic acid
CID 130939829
3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid
CID 65162206
4-(6-hydroxyhexyl)-1,1-dioxothiane-4-carboxylic acid
CID 146658372
3-(methoxymethyl)piperidine-3-carboxylic acid;hydrochloride
CID 122163546
1-(4-hydroxybutyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79428551
3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
CID 63141172

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxyhexyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-(6-hydroxyhexyl)piperidine-3-carboxylic acid (CID 107704736) is 3-(6-hydroxyhexyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(6-hydroxyhexyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(6-hydroxyhexyl)piperidine-3-carboxylic acid is O=C(O)C1(CCCCCCO)CCCNC1.
What is the InChIKey of 3-(6-hydroxyhexyl)piperidine-3-carboxylic acid?
The InChIKey is QVLHDOXONNCRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c14-9-4-2-1-3-6-12(11(15)16)7-5-8-13-10-12/h13-14H,1-10H2,(H,15,16).
What are the key properties of 3-(6-hydroxyhexyl)piperidine-3-carboxylic acid?
3-(6-hydroxyhexyl)piperidine-3-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxyhexyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 107704736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).