4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol

C15H23NO — CID 104549262

IUPAC4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol
SMILESCC(C)CC(CO)N1CC(c2ccccc2)C1
InChIInChI=1S/C15H23NO/c1-12(2)8-15(11-17)16-9-14(10-16)13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3
InChIKeyFJQUUJLWHVUSCT-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.49
Rot. Bonds5

About 4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol

4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol (PubChem CID 104549262) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol
PubChem CID104549262
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol
SMILESCC(C)CC(CO)N1CC(c2ccccc2)C1
InChIInChI=1S/C15H23NO/c1-12(2)8-15(11-17)16-9-14(10-16)13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3
InChIKeyFJQUUJLWHVUSCT-UHFFFAOYSA-N
XLogP2.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1-propan-2-ylazetidine
CID 23628
5-(3-phenylazetidin-1-yl)hexanoic acid
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3-phenyl-1-propan-2-ylpyrrolidine
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1-(3-phenylazetidin-1-yl)propan-2-amine
CID 79678863
(2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol
CID 93252683
(2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol
CID 107863697
3-(3-phenylpyrrolidin-1-yl)butan-2-ol
CID 62133226
2-methyl-4-(3-phenylazetidin-1-yl)butanoic acid
CID 80541167
[(3R,5S)-5-benzoyl-1-(1,3-dihydroxypropan-2-yl)-4-phenylpiperidin-3-yl]-phenylmethanone
CID 68881536
2-(azepan-1-yl)-4-methylpentan-1-ol
CID 104549268
4-methyl-2-pyrrol-1-ylpentan-1-ol
CID 104549267

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol?
The IUPAC name of 4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol (CID 104549262) is 4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol.
What is the SMILES notation for 4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol?
The canonical SMILES for 4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol is CC(C)CC(CO)N1CC(c2ccccc2)C1.
What is the InChIKey of 4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol?
The InChIKey is FJQUUJLWHVUSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)8-15(11-17)16-9-14(10-16)13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3.
What are the key properties of 4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol?
4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol is sourced from PubChem (CID 104549262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).