N-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline

C15H23FN2 — CID 63133905

IUPACN-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline
SMILESCCN(CC1(C)CCCNC1)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2/c1-3-18(14-7-5-13(16)6-8-14)12-15(2)9-4-10-17-11-15/h5-8,17H,3-4,9-12H2,1-2H3
InChIKeyDRKFGALLZOFASA-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.04
Rot. Bonds4

About N-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline

N-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline (PubChem CID 63133905) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline
PubChem CID63133905
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline
SMILESCCN(CC1(C)CCCNC1)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2/c1-3-18(14-7-5-13(16)6-8-14)12-15(2)9-4-10-17-11-15/h5-8,17H,3-4,9-12H2,1-2H3
InChIKeyDRKFGALLZOFASA-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol
CID 62272788
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline
CID 115449003
N,N-diethyl-4-fluoroaniline
CID 592416
3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine
CID 64892421
1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine
CID 55165098
N-[2-(1-aminocyclohexyl)ethyl]-N-ethyl-4-fluoroaniline
CID 64682474
N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 63133387
2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine
CID 63132921
ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline
CID 143503842
5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]pyrimidin-2-amine
CID 104606422
3-(4-fluorophenyl)piperidin-3-ol
CID 10198053
(3-methylpiperidin-3-yl)methanol
CID 19594566

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline?
The IUPAC name of N-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline (CID 63133905) is N-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline.
What is the SMILES notation for N-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline?
The canonical SMILES for N-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline is CCN(CC1(C)CCCNC1)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline?
The InChIKey is DRKFGALLZOFASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-18(14-7-5-13(16)6-8-14)12-15(2)9-4-10-17-11-15/h5-8,17H,3-4,9-12H2,1-2H3.
What are the key properties of N-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline?
N-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline has a molecular weight of 250.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline is sourced from PubChem (CID 63133905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).