4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline

C15H23FN2O — CID 54985711

IUPAC4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline
SMILESCCCOC1CCCN(Cc2cc(F)ccc2N)C1
InChIInChI=1S/C15H23FN2O/c1-2-8-19-14-4-3-7-18(11-14)10-12-9-13(16)5-6-15(12)17/h5-6,9,14H,2-4,7-8,10-11,17H2,1H3
InChIKeyWWMNIPSVMOWMMN-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.80
Rot. Bonds5

About 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline

4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline (PubChem CID 54985711) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline
PubChem CID54985711
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline
SMILESCCCOC1CCCN(Cc2cc(F)ccc2N)C1
InChIInChI=1S/C15H23FN2O/c1-2-8-19-14-4-3-7-18(11-14)10-12-9-13(16)5-6-15(12)17/h5-6,9,14H,2-4,7-8,10-11,17H2,1H3
InChIKeyWWMNIPSVMOWMMN-UHFFFAOYSA-N
XLogP2.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 103947572
4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 115413955
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine
CID 99955836
4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline
CID 61170931
2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline
CID 62495233
[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
CID 112548894
2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 107694025
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine
CID 134697243
[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888050
3-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 82986062
N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62411193
N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62411545

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline?
The IUPAC name of 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline (CID 54985711) is 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline is CCCOC1CCCN(Cc2cc(F)ccc2N)C1.
What is the InChIKey of 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline?
The InChIKey is WWMNIPSVMOWMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-2-8-19-14-4-3-7-18(11-14)10-12-9-13(16)5-6-15(12)17/h5-6,9,14H,2-4,7-8,10-11,17H2,1H3.
What are the key properties of 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline?
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline has a molecular weight of 266.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 54985711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).