1-pentylpiperidine-3,4-diol

C10H21NO2 — CID 69410100

IUPAC1-pentylpiperidine-3,4-diol
SMILESCCCCCN1CCC(O)C(O)C1
InChIInChI=1S/C10H21NO2/c1-2-3-4-6-11-7-5-9(12)10(13)8-11/h9-10,12-13H,2-8H2,1H3
InChIKeyGXFQYIHEOXXIIQ-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.60
Rot. Bonds4

About 1-pentylpiperidine-3,4-diol

1-pentylpiperidine-3,4-diol (PubChem CID 69410100) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-pentylpiperidine-3,4-diol.

Molecular Properties

Compound Name1-pentylpiperidine-3,4-diol
PubChem CID69410100
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-pentylpiperidine-3,4-diol
SMILESCCCCCN1CCC(O)C(O)C1
InChIInChI=1S/C10H21NO2/c1-2-3-4-6-11-7-5-9(12)10(13)8-11/h9-10,12-13H,2-8H2,1H3
InChIKeyGXFQYIHEOXXIIQ-UHFFFAOYSA-N
XLogP0.60
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.60
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

(3S,4S)-1-hexadecylpyrrolidine-3,4-diol
CID 129411144
3-ethyl-1-heptylpiperidin-4-ol
CID 114510902
1-octylpiperidin-4-ol
CID 62022103
methyl 1-butyl-4-hydroxypiperidine-3-carboxylate
CID 121199616
(3S)-1-heptylpyrrolidin-3-amine
CID 81491543
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510
3-chloro-4-methyl-1-pentylpiperidine
CID 102960020
3-butyl-1-hexylpyrrolidine
CID 171570679
2-(1-hexylpyrrolidin-3-yl)ethanol
CID 115648154
1-octylpiperidine-3,4-dicarboxylic acid
CID 115918660
4-azido-1-butylpiperidin-3-ol
CID 123520759
1-octyl-3-propylpyrrolidine;hydrochloride
CID 175874915

Frequently Asked Questions

What is the IUPAC name of 1-pentylpiperidine-3,4-diol?
The IUPAC name of 1-pentylpiperidine-3,4-diol (CID 69410100) is 1-pentylpiperidine-3,4-diol.
What is the SMILES notation for 1-pentylpiperidine-3,4-diol?
The canonical SMILES for 1-pentylpiperidine-3,4-diol is CCCCCN1CCC(O)C(O)C1.
What is the InChIKey of 1-pentylpiperidine-3,4-diol?
The InChIKey is GXFQYIHEOXXIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-3-4-6-11-7-5-9(12)10(13)8-11/h9-10,12-13H,2-8H2,1H3.
What are the key properties of 1-pentylpiperidine-3,4-diol?
1-pentylpiperidine-3,4-diol has a molecular weight of 187.28 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpiperidine-3,4-diol is sourced from PubChem (CID 69410100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).