(1R,2R)-1-cyclopropyl-1-(4-methoxyphenyl)-2-pyridin-2-ylbutan-1-ol

C19H23NO2 — CID 125488551

IUPAC(1R,2R)-1-cyclopropyl-1-(4-methoxyphenyl)-2-pyridin-2-ylbutan-1-ol
SMILESCC[C@H](c1ccccn1)[C@@](O)(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C19H23NO2/c1-3-17(18-6-4-5-13-20-18)19(21,14-7-8-14)15-9-11-16(22-2)12-10-15/h4-6,9-14,17,21H,3,7-8H2,1-2H3/t17-,19+/m1/s1
InChIKeyQDJZIDUZCUKLLI-MJGOQNOKSA-N
MW297.40 g/mol
LogP3.88
Rot. Bonds6

About (1R,2R)-1-cyclopropyl-1-(4-methoxyphenyl)-2-pyridin-2-ylbutan-1-ol

(1R,2R)-1-cyclopropyl-1-(4-methoxyphenyl)-2-pyridin-2-ylbutan-1-ol (PubChem CID 125488551) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (1R,2R)-1-cyclopropyl-1-(4-methoxyphenyl)-2-pyridin-2-ylbutan-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-cyclopropyl-1-(4-methoxyphenyl)-2-pyridin-2-ylbutan-1-ol
PubChem CID125488551
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(1R,2R)-1-cyclopropyl-1-(4-methoxyphenyl)-2-pyridin-2-ylbutan-1-ol
SMILESCC[C@H](c1ccccn1)[C@@](O)(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C19H23NO2/c1-3-17(18-6-4-5-13-20-18)19(21,14-7-8-14)15-9-11-16(22-2)12-10-15/h4-6,9-14,17,21H,3,7-8H2,1-2H3/t17-,19+/m1/s1
InChIKeyQDJZIDUZCUKLLI-MJGOQNOKSA-N
XLogP3.88
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-(4-methoxyphenyl)-3-pyridin-2-ylpentan-2-ol
CID 125488478
(2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol
CID 125488191
(1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 129364593
(1S,2R)-1-cyclohexyl-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949434
methyl 2-(cyclopropyl-hydroxy-phenylmethyl)butanoate
CID 62395110
2-(1-cyclopropylpropyl)pyridine
CID 154455035
(2S,3S)-2-(4-methoxyphenyl)-3-pyridin-2-ylpentan-3-ol
CID 125488147
3-(4-methoxyphenoxy)-2-pyridin-2-ylpropan-1-amine
CID 112516627
1-(4-methoxyphenyl)-1-pyridin-2-ylpropan-2-one
CID 174924212
2-ethyl-N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]butanamide
CID 16928268
1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110454928
N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550244

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-cyclopropyl-1-(4-methoxyphenyl)-2-pyridin-2-ylbutan-1-ol?
The IUPAC name of (1R,2R)-1-cyclopropyl-1-(4-methoxyphenyl)-2-pyridin-2-ylbutan-1-ol (CID 125488551) is (1R,2R)-1-cyclopropyl-1-(4-methoxyphenyl)-2-pyridin-2-ylbutan-1-ol.
What is the SMILES notation for (1R,2R)-1-cyclopropyl-1-(4-methoxyphenyl)-2-pyridin-2-ylbutan-1-ol?
The canonical SMILES for (1R,2R)-1-cyclopropyl-1-(4-methoxyphenyl)-2-pyridin-2-ylbutan-1-ol is CC[C@H](c1ccccn1)[C@@](O)(c1ccc(OC)cc1)C1CC1.
What is the InChIKey of (1R,2R)-1-cyclopropyl-1-(4-methoxyphenyl)-2-pyridin-2-ylbutan-1-ol?
The InChIKey is QDJZIDUZCUKLLI-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-17(18-6-4-5-13-20-18)19(21,14-7-8-14)15-9-11-16(22-2)12-10-15/h4-6,9-14,17,21H,3,7-8H2,1-2H3/t17-,19+/m1/s1.
What are the key properties of (1R,2R)-1-cyclopropyl-1-(4-methoxyphenyl)-2-pyridin-2-ylbutan-1-ol?
(1R,2R)-1-cyclopropyl-1-(4-methoxyphenyl)-2-pyridin-2-ylbutan-1-ol has a molecular weight of 297.40 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-cyclopropyl-1-(4-methoxyphenyl)-2-pyridin-2-ylbutan-1-ol is sourced from PubChem (CID 125488551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).