3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol

C12H17NO2 — CID 105066324

IUPAC3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol
SMILESCOc1cnccc1C(O)CCC1CC1
InChIInChI=1S/C12H17NO2/c1-15-12-8-13-7-6-10(12)11(14)5-4-9-2-3-9/h6-9,11,14H,2-5H2,1H3
InChIKeyUSJPTWFOKCXNQD-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.31
Rot. Bonds5

About 3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol

3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol (PubChem CID 105066324) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol
PubChem CID105066324
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol
SMILESCOc1cnccc1C(O)CCC1CC1
InChIInChI=1S/C12H17NO2/c1-15-12-8-13-7-6-10(12)11(14)5-4-9-2-3-9/h6-9,11,14H,2-5H2,1H3
InChIKeyUSJPTWFOKCXNQD-UHFFFAOYSA-N
XLogP2.31
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 105066320
1-(3-methoxy-4-pyridinyl)pentan-1-ol
CID 105066220
2-(4-ethylphenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066190
3-cyclopentyl-1-(2,4-dimethoxyphenyl)propan-1-ol
CID 61088448
[2-cyclobutyl-1-(3-methoxy-4-pyridinyl)ethyl]hydrazine
CID 105310161
(4-ethylcyclohexyl)-(3-methoxy-4-pyridinyl)methanamine
CID 105065687
1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 105066465
3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol
CID 105066192
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066380
2-(3,4-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066235
2-(3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066229
3-(cyclopropylmethoxy)-4-methoxypyridine
CID 150318193

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol?
The IUPAC name of 3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol (CID 105066324) is 3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol?
The canonical SMILES for 3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol is COc1cnccc1C(O)CCC1CC1.
What is the InChIKey of 3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol?
The InChIKey is USJPTWFOKCXNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-12-8-13-7-6-10(12)11(14)5-4-9-2-3-9/h6-9,11,14H,2-5H2,1H3.
What are the key properties of 3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol?
3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol has a molecular weight of 207.27 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol is sourced from PubChem (CID 105066324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).