3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol

C17H27NO2 — CID 115829399

IUPAC3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol
SMILESCC(C)Oc1cncc(C(O)CCC2CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-13(2)20-16-10-15(11-18-12-16)17(19)9-8-14-6-4-3-5-7-14/h10-14,17,19H,3-9H2,1-2H3
InChIKeyAUAIRNAASRCAEJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.26
Rot. Bonds6

About 3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol

3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol (PubChem CID 115829399) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol
PubChem CID115829399
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol
SMILESCC(C)Oc1cncc(C(O)CCC2CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-13(2)20-16-10-15(11-18-12-16)17(19)9-8-14-6-4-3-5-7-14/h10-14,17,19H,3-9H2,1-2H3
InChIKeyAUAIRNAASRCAEJ-UHFFFAOYSA-N
XLogP4.26
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
CID 105027507
2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol
CID 103547597
2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol
CID 103170200
piperidin-2-yl-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 106634630
3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol
CID 115829422
2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol
CID 115373791
(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol
CID 106639944
2-cyclohexyl-2-methoxy-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 116771301
3-cyclopentyl-1-(5-methoxy-3-pyridinyl)-N-methylpropan-1-amine
CID 105025992
2-cyclopentyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 61086888
1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474001
(1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 116755046

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol?
The IUPAC name of 3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol (CID 115829399) is 3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol?
The canonical SMILES for 3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol is CC(C)Oc1cncc(C(O)CCC2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol?
The InChIKey is AUAIRNAASRCAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)20-16-10-15(11-18-12-16)17(19)9-8-14-6-4-3-5-7-14/h10-14,17,19H,3-9H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol?
3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 115829399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).