1-(4-phenylbutyl)azetidin-3-ol

C13H19NO — CID 114334514

IUPAC1-(4-phenylbutyl)azetidin-3-ol
SMILESOC1CN(CCCCc2ccccc2)C1
InChIInChI=1S/C13H19NO/c15-13-10-14(11-13)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2
InChIKeyUGASOFBXMMVXIW-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.69
Rot. Bonds5

About 1-(4-phenylbutyl)azetidin-3-ol

1-(4-phenylbutyl)azetidin-3-ol (PubChem CID 114334514) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(4-phenylbutyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(4-phenylbutyl)azetidin-3-ol
PubChem CID114334514
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(4-phenylbutyl)azetidin-3-ol
SMILESOC1CN(CCCCc2ccccc2)C1
InChIInChI=1S/C13H19NO/c15-13-10-14(11-13)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2
InChIKeyUGASOFBXMMVXIW-UHFFFAOYSA-N
XLogP1.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-4-hydroxy-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 135107489
[(3S)-1-(4-phenylbutyl)pyrrolidin-3-yl]methanol
CID 129380566
(3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol
CID 133113656
(3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine
CID 118550630
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
(Z)-but-2-enedioic acid;4-phenyl-1-(4-phenylbutyl)piperidine
CID 11682970
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
4-phenylbutylbenzene
CID 141301927
4-[4-(6-phenylhexyl)piperazin-1-yl]phenol
CID 69479444
6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
CID 23016534
[1-(4-phenylbutyl)piperidin-4-yl]methanamine
CID 69419059
(6S)-1-benzyl-4-(4-methylpentyl)-1,4-diazepan-6-ol
CID 99978630

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbutyl)azetidin-3-ol?
The IUPAC name of 1-(4-phenylbutyl)azetidin-3-ol (CID 114334514) is 1-(4-phenylbutyl)azetidin-3-ol.
What is the SMILES notation for 1-(4-phenylbutyl)azetidin-3-ol?
The canonical SMILES for 1-(4-phenylbutyl)azetidin-3-ol is OC1CN(CCCCc2ccccc2)C1.
What is the InChIKey of 1-(4-phenylbutyl)azetidin-3-ol?
The InChIKey is UGASOFBXMMVXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-13-10-14(11-13)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2.
What are the key properties of 1-(4-phenylbutyl)azetidin-3-ol?
1-(4-phenylbutyl)azetidin-3-ol has a molecular weight of 205.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbutyl)azetidin-3-ol is sourced from PubChem (CID 114334514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).