1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol

C14H21NO3 — CID 103457017

IUPAC1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol
SMILESCOc1c(C)cnc(CC(O)C(O)C2CC2)c1C
InChIInChI=1S/C14H21NO3/c1-8-7-15-11(9(2)14(8)18-3)6-12(16)13(17)10-4-5-10/h7,10,12-13,16-17H,4-6H2,1-3H3
InChIKeyWNKHCHNREHGEGA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.38
Rot. Bonds5

About 1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol

1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol (PubChem CID 103457017) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol
PubChem CID103457017
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol
SMILESCOc1c(C)cnc(CC(O)C(O)C2CC2)c1C
InChIInChI=1S/C14H21NO3/c1-8-7-15-11(9(2)14(8)18-3)6-12(16)13(17)10-4-5-10/h7,10,12-13,16-17H,4-6H2,1-3H3
InChIKeyWNKHCHNREHGEGA-UHFFFAOYSA-N
XLogP1.38
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol
CID 65401765
1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
CID 62600019
3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 115844027
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
1-(3-ethylcyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 65401934
1-[1-hydroxy-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]cyclopentan-1-ol
CID 103448486
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol
CID 103655825
1-cyclopentyl-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62601412
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol
CID 116660006
[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105297202
1-cyclohexyl-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62601994

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol?
The IUPAC name of 1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol (CID 103457017) is 1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol?
The canonical SMILES for 1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol is COc1c(C)cnc(CC(O)C(O)C2CC2)c1C.
What is the InChIKey of 1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol?
The InChIKey is WNKHCHNREHGEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-8-7-15-11(9(2)14(8)18-3)6-12(16)13(17)10-4-5-10/h7,10,12-13,16-17H,4-6H2,1-3H3.
What are the key properties of 1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol?
1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol has a molecular weight of 251.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 103457017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).