4-(3-phenylazetidin-1-yl)butan-1-ol

C13H19NO — CID 106844153

IUPAC4-(3-phenylazetidin-1-yl)butan-1-ol
SMILESOCCCCN1CC(c2ccccc2)C1
InChIInChI=1S/C13H19NO/c15-9-5-4-8-14-10-13(11-14)12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2
InChIKeyINVAVZVIGUXIPY-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.86
Rot. Bonds5

About 4-(3-phenylazetidin-1-yl)butan-1-ol

4-(3-phenylazetidin-1-yl)butan-1-ol (PubChem CID 106844153) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(3-phenylazetidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(3-phenylazetidin-1-yl)butan-1-ol
PubChem CID106844153
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(3-phenylazetidin-1-yl)butan-1-ol
SMILESOCCCCN1CC(c2ccccc2)C1
InChIInChI=1S/C13H19NO/c15-9-5-4-8-14-10-13(11-14)12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2
InChIKeyINVAVZVIGUXIPY-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
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

2-methyl-4-(3-phenylazetidin-1-yl)butanoic acid
CID 80541167
7-(1,3-dihydroisoindol-2-yl)heptan-1-ol
CID 165175514
(3S,5S)-1-butyl-3-chloro-5-phenylpiperidine
CID 101182718
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
2-[3-(ethylamino)-5-phenylpiperidin-1-yl]ethanol
CID 83990743
4-(3-phenylpiperidin-1-yl)butanoic acid
CID 156599277
6-(3-phenylpyrrolidin-1-yl)hexan-2-ol
CID 62133412
9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol
CID 105343948
3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol
CID 14208749
4-(3-methylazetidin-1-yl)butan-1-ol
CID 106844124
1-(6-hydroxyhexyl)azetidin-3-ol
CID 107706453
2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol
CID 129498083

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylazetidin-1-yl)butan-1-ol?
The IUPAC name of 4-(3-phenylazetidin-1-yl)butan-1-ol (CID 106844153) is 4-(3-phenylazetidin-1-yl)butan-1-ol.
What is the SMILES notation for 4-(3-phenylazetidin-1-yl)butan-1-ol?
The canonical SMILES for 4-(3-phenylazetidin-1-yl)butan-1-ol is OCCCCN1CC(c2ccccc2)C1.
What is the InChIKey of 4-(3-phenylazetidin-1-yl)butan-1-ol?
The InChIKey is INVAVZVIGUXIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-9-5-4-8-14-10-13(11-14)12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2.
What are the key properties of 4-(3-phenylazetidin-1-yl)butan-1-ol?
4-(3-phenylazetidin-1-yl)butan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylazetidin-1-yl)butan-1-ol is sourced from PubChem (CID 106844153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).