1-octylpiperidin-4-ol

C13H27NO — CID 62022103

IUPAC1-octylpiperidin-4-ol
SMILESCCCCCCCCN1CCC(O)CC1
InChIInChI=1S/C13H27NO/c1-2-3-4-5-6-7-10-14-11-8-13(15)9-12-14/h13,15H,2-12H2,1H3
InChIKeyCOEYZPAWECDQGF-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.80
Rot. Bonds7

About 1-octylpiperidin-4-ol

1-octylpiperidin-4-ol (PubChem CID 62022103) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-octylpiperidin-4-ol.

Molecular Properties

Compound Name1-octylpiperidin-4-ol
PubChem CID62022103
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-octylpiperidin-4-ol
SMILESCCCCCCCCN1CCC(O)CC1
InChIInChI=1S/C13H27NO/c1-2-3-4-5-6-7-10-14-11-8-13(15)9-12-14/h13,15H,2-12H2,1H3
InChIKeyCOEYZPAWECDQGF-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.80
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

1-(2-butoxyethyl)piperidin-4-ol
CID 61067988
4-fluoro-1-octylpiperidine
CID 130358850
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
1-(1-heptylpiperidin-4-yl)ethanol
CID 103688705
1-dodecyl-N-methylpiperidin-4-amine
CID 63400682
4-butyl-1-octylpiperidine
CID 171570418
hexadecyl N-[2-(4-hydroxypiperidin-1-yl)ethyl]carbamate
CID 18968656
1-(8-methylnon-7-enyl)piperidin-4-ol
CID 30981448

Frequently Asked Questions

What is the IUPAC name of 1-octylpiperidin-4-ol?
The IUPAC name of 1-octylpiperidin-4-ol (CID 62022103) is 1-octylpiperidin-4-ol.
What is the SMILES notation for 1-octylpiperidin-4-ol?
The canonical SMILES for 1-octylpiperidin-4-ol is CCCCCCCCN1CCC(O)CC1.
What is the InChIKey of 1-octylpiperidin-4-ol?
The InChIKey is COEYZPAWECDQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-2-3-4-5-6-7-10-14-11-8-13(15)9-12-14/h13,15H,2-12H2,1H3.
What are the key properties of 1-octylpiperidin-4-ol?
1-octylpiperidin-4-ol has a molecular weight of 213.36 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octylpiperidin-4-ol is sourced from PubChem (CID 62022103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).