1-pyridin-4-yltridecan-1-ol

C18H31NO — CID 63410309

IUPAC1-pyridin-4-yltridecan-1-ol
SMILESCCCCCCCCCCCCC(O)c1ccncc1
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-18(20)17-13-15-19-16-14-17/h13-16,18,20H,2-12H2,1H3
InChIKeyPUQJXAZPLPMKTC-UHFFFAOYSA-N
MW277.45 g/mol
LogP5.43
Rot. Bonds12

About 1-pyridin-4-yltridecan-1-ol

1-pyridin-4-yltridecan-1-ol (PubChem CID 63410309) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-pyridin-4-yltridecan-1-ol.

Molecular Properties

Compound Name1-pyridin-4-yltridecan-1-ol
PubChem CID63410309
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-pyridin-4-yltridecan-1-ol
SMILESCCCCCCCCCCCCC(O)c1ccncc1
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-18(20)17-13-15-19-16-14-17/h13-16,18,20H,2-12H2,1H3
InChIKeyPUQJXAZPLPMKTC-UHFFFAOYSA-N
XLogP5.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.45
LogP ≤ 55.43
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-pyridazin-4-ylnonan-1-ol
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(1R)-1-phenyloctan-1-ol
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1-pyridin-4-ylheptylhydrazine
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4-(1-hydroxytridecyl)phenol
CID 57120972
4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine
CID 125129263
1-pyrimidin-5-yltridecan-1-ol
CID 102924013
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
(1R)-1-pyridin-4-ylhexan-1-amine
CID 94506997

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yltridecan-1-ol?
The IUPAC name of 1-pyridin-4-yltridecan-1-ol (CID 63410309) is 1-pyridin-4-yltridecan-1-ol.
What is the SMILES notation for 1-pyridin-4-yltridecan-1-ol?
The canonical SMILES for 1-pyridin-4-yltridecan-1-ol is CCCCCCCCCCCCC(O)c1ccncc1.
What is the InChIKey of 1-pyridin-4-yltridecan-1-ol?
The InChIKey is PUQJXAZPLPMKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-18(20)17-13-15-19-16-14-17/h13-16,18,20H,2-12H2,1H3.
What are the key properties of 1-pyridin-4-yltridecan-1-ol?
1-pyridin-4-yltridecan-1-ol has a molecular weight of 277.45 g/mol, XLogP of 5.43, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yltridecan-1-ol is sourced from PubChem (CID 63410309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).