3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine

C15H19F3N2O — CID 162686588

IUPAC3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine
SMILESFC(F)(F)Oc1ccc(N2CC(C3CCCNC3)C2)cc1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)21-14-5-3-13(4-6-14)20-9-12(10-20)11-2-1-7-19-8-11/h3-6,11-12,19H,1-2,7-10H2
InChIKeyIVBCRKLZSSPRMX-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.02
Rot. Bonds3

About 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine

3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine (PubChem CID 162686588) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine.

Molecular Properties

Compound Name3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine
PubChem CID162686588
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine
SMILESFC(F)(F)Oc1ccc(N2CC(C3CCCNC3)C2)cc1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)21-14-5-3-13(4-6-14)20-9-12(10-20)11-2-1-7-19-8-11/h3-6,11-12,19H,1-2,7-10H2
InChIKeyIVBCRKLZSSPRMX-UHFFFAOYSA-N
XLogP3.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methoxyphenyl)piperazine
CID 269722
1-(4-Methoxy-2-methylphenyl)piperazine
CID 10750797
4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 24748328
3-methyl-N-(4-(trifluoromethoxy)phenyl)piperidine-1-carboxamide
CID 24748652
N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 118409080
N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]acetamide
CID 118409082
2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 118712050
n-Methyl-4-(trifluoromethoxy)aniline
CID 737351
N-[4-(difluoromethoxy)phenyl]-3,5-dimethylpiperidine-1-carbothioamide
CID 5013800
4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-N-ethylaniline;hydrate;hydrochloride
CID 45262191
N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3235204
N-[4-(Chloro-difluoro-methoxy)-phenyl]-3-piperidin-1-yl-propionamide
CID 778166

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine?
The IUPAC name of 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine (CID 162686588) is 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine.
What is the SMILES notation for 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine?
The canonical SMILES for 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine is FC(F)(F)Oc1ccc(N2CC(C3CCCNC3)C2)cc1.
What is the InChIKey of 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine?
The InChIKey is IVBCRKLZSSPRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)21-14-5-3-13(4-6-14)20-9-12(10-20)11-2-1-7-19-8-11/h3-6,11-12,19H,1-2,7-10H2.
What are the key properties of 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine?
3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine has a molecular weight of 300.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine is sourced from PubChem (CID 162686588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).