4-fluoro-N-(3-methyl-1-piperidin-3-ylpentyl)aniline

C17H27FN2 — CID 175967854

IUPAC4-fluoro-N-(3-methyl-1-piperidin-3-ylpentyl)aniline
SMILESCCC(C)CC(Nc1ccc(F)cc1)C1CCCNC1
InChIInChI=1S/C17H27FN2/c1-3-13(2)11-17(14-5-4-10-19-12-14)20-16-8-6-15(18)7-9-16/h6-9,13-14,17,19-20H,3-5,10-12H2,1-2H3
InChIKeyBUWHSMAGISLPQT-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.04
Rot. Bonds6

About 4-fluoro-N-(3-methyl-1-piperidin-3-ylpentyl)aniline

4-fluoro-N-(3-methyl-1-piperidin-3-ylpentyl)aniline (PubChem CID 175967854) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-fluoro-N-(3-methyl-1-piperidin-3-ylpentyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(3-methyl-1-piperidin-3-ylpentyl)aniline
PubChem CID175967854
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name4-fluoro-N-(3-methyl-1-piperidin-3-ylpentyl)aniline
SMILESCCC(C)CC(Nc1ccc(F)cc1)C1CCCNC1
InChIInChI=1S/C17H27FN2/c1-3-13(2)11-17(14-5-4-10-19-12-14)20-16-8-6-15(18)7-9-16/h6-9,13-14,17,19-20H,3-5,10-12H2,1-2H3
InChIKeyBUWHSMAGISLPQT-UHFFFAOYSA-N
XLogP4.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylpropyl)-4-fluoroaniline
CID 64918794
3-[1-(4-fluorophenyl)propyl]piperidine
CID 83910611
3-methyl-1-piperidin-3-ylpentan-1-ol
CID 80559058
(3R)-3-[bis(4-fluorophenyl)methyl]piperidine
CID 166747896
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
2-(4-fluorophenyl)-1-piperidin-3-ylethanol
CID 71683765
N-[1-(4-fluorophenyl)propan-2-yl]piperidin-3-amine
CID 62997030
2-cyclopropyl-2-(4-fluoroanilino)ethanol
CID 61310926
4-methyl-3-nitro-N-(1-piperidin-3-ylethyl)aniline
CID 62911788
N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide
CID 81048284
6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103295220

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methyl-1-piperidin-3-ylpentyl)aniline?
The IUPAC name of 4-fluoro-N-(3-methyl-1-piperidin-3-ylpentyl)aniline (CID 175967854) is 4-fluoro-N-(3-methyl-1-piperidin-3-ylpentyl)aniline.
What is the SMILES notation for 4-fluoro-N-(3-methyl-1-piperidin-3-ylpentyl)aniline?
The canonical SMILES for 4-fluoro-N-(3-methyl-1-piperidin-3-ylpentyl)aniline is CCC(C)CC(Nc1ccc(F)cc1)C1CCCNC1.
What is the InChIKey of 4-fluoro-N-(3-methyl-1-piperidin-3-ylpentyl)aniline?
The InChIKey is BUWHSMAGISLPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-13(2)11-17(14-5-4-10-19-12-14)20-16-8-6-15(18)7-9-16/h6-9,13-14,17,19-20H,3-5,10-12H2,1-2H3.
What are the key properties of 4-fluoro-N-(3-methyl-1-piperidin-3-ylpentyl)aniline?
4-fluoro-N-(3-methyl-1-piperidin-3-ylpentyl)aniline has a molecular weight of 278.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methyl-1-piperidin-3-ylpentyl)aniline is sourced from PubChem (CID 175967854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).