3-ethyl-1-heptylpiperidin-4-ol

C14H29NO — CID 114510902

IUPAC3-ethyl-1-heptylpiperidin-4-ol
SMILESCCCCCCCN1CCC(O)C(CC)C1
InChIInChI=1S/C14H29NO/c1-3-5-6-7-8-10-15-11-9-14(16)13(4-2)12-15/h13-14,16H,3-12H2,1-2H3
InChIKeyDFUXZXSZBJNACZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds7

About 3-ethyl-1-heptylpiperidin-4-ol

3-ethyl-1-heptylpiperidin-4-ol (PubChem CID 114510902) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-ethyl-1-heptylpiperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-1-heptylpiperidin-4-ol
PubChem CID114510902
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-ethyl-1-heptylpiperidin-4-ol
SMILESCCCCCCCN1CCC(O)C(CC)C1
InChIInChI=1S/C14H29NO/c1-3-5-6-7-8-10-15-11-9-14(16)13(4-2)12-15/h13-14,16H,3-12H2,1-2H3
InChIKeyDFUXZXSZBJNACZ-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-hept-6-enylpiperidin-4-ol
CID 107011021
1-pentylpiperidine-3,4-diol
CID 69410100
ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate
CID 114511051
3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol
CID 114511149
3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid
CID 129497995
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
1-[2-(dimethylamino)ethyl]-3-ethylpiperidin-4-ol
CID 114511210
1-but-3-ynyl-3-ethylpiperidin-4-ol
CID 114511006
1-octylpiperidin-4-ol
CID 62022103
(3S,4S)-1-hexadecylpyrrolidine-3,4-diol
CID 129411144
1-octyl-3-propylpyrrolidine;hydrochloride
CID 175874915
1-(3-ethyl-4-hydroxypiperidin-1-yl)pentan-1-one
CID 114509873

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-heptylpiperidin-4-ol?
The IUPAC name of 3-ethyl-1-heptylpiperidin-4-ol (CID 114510902) is 3-ethyl-1-heptylpiperidin-4-ol.
What is the SMILES notation for 3-ethyl-1-heptylpiperidin-4-ol?
The canonical SMILES for 3-ethyl-1-heptylpiperidin-4-ol is CCCCCCCN1CCC(O)C(CC)C1.
What is the InChIKey of 3-ethyl-1-heptylpiperidin-4-ol?
The InChIKey is DFUXZXSZBJNACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-5-6-7-8-10-15-11-9-14(16)13(4-2)12-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 3-ethyl-1-heptylpiperidin-4-ol?
3-ethyl-1-heptylpiperidin-4-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-heptylpiperidin-4-ol is sourced from PubChem (CID 114510902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).