6-pentylpiperidine-3,4-diol

C10H21NO2 — CID 122657014

IUPAC6-pentylpiperidine-3,4-diol
SMILESCCCCCC1CC(O)C(O)CN1
InChIInChI=1S/C10H21NO2/c1-2-3-4-5-8-6-9(12)10(13)7-11-8/h8-13H,2-7H2,1H3
InChIKeyZYLKDWHTCSDYPW-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.65
Rot. Bonds4

About 6-pentylpiperidine-3,4-diol

6-pentylpiperidine-3,4-diol (PubChem CID 122657014) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 6-pentylpiperidine-3,4-diol.

Molecular Properties

Compound Name6-pentylpiperidine-3,4-diol
PubChem CID122657014
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name6-pentylpiperidine-3,4-diol
SMILESCCCCCC1CC(O)C(O)CN1
InChIInChI=1S/C10H21NO2/c1-2-3-4-5-8-6-9(12)10(13)7-11-8/h8-13H,2-7H2,1H3
InChIKeyZYLKDWHTCSDYPW-UHFFFAOYSA-N
XLogP0.65
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol
CID 10402448
(2S,4S)-2-hexyl-4-methylpyrrolidine
CID 101063075
2-pentylaziridine
CID 19101061
2-hexyl-5-methylpiperazine
CID 153393891
2-hexyl-5-methylpiperidine
CID 106778394
2-heptyl-5-methylpiperidine
CID 106778362
4-ethyl-6-heptyl-1,3-diazinane
CID 146643055
(2R,4S)-2-butyl-4-methoxypyrrolidine
CID 99994244
(2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine
CID 99994645
4-hydroxy-6-propylpiperidine-3-carboxylic acid
CID 130146203
(2S,4R)-2-butyl-4-ethoxypyrrolidine
CID 99994328
(2R,4S)-4-butoxy-2-butylpyrrolidine
CID 99994485

Frequently Asked Questions

What is the IUPAC name of 6-pentylpiperidine-3,4-diol?
The IUPAC name of 6-pentylpiperidine-3,4-diol (CID 122657014) is 6-pentylpiperidine-3,4-diol.
What is the SMILES notation for 6-pentylpiperidine-3,4-diol?
The canonical SMILES for 6-pentylpiperidine-3,4-diol is CCCCCC1CC(O)C(O)CN1.
What is the InChIKey of 6-pentylpiperidine-3,4-diol?
The InChIKey is ZYLKDWHTCSDYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-3-4-5-8-6-9(12)10(13)7-11-8/h8-13H,2-7H2,1H3.
What are the key properties of 6-pentylpiperidine-3,4-diol?
6-pentylpiperidine-3,4-diol has a molecular weight of 187.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentylpiperidine-3,4-diol is sourced from PubChem (CID 122657014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).