3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline

C15H24FN3 — CID 107347330

IUPAC3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline
SMILESCN(C)CC1CCN(Cc2cccc(N)c2F)CC1
InChIInChI=1S/C15H24FN3/c1-18(2)10-12-6-8-19(9-7-12)11-13-4-3-5-14(17)15(13)16/h3-5,12H,6-11,17H2,1-2H3
InChIKeyHLHKLQFMUSHXQU-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.18
Rot. Bonds4

About 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline

3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline (PubChem CID 107347330) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline.

Molecular Properties

Compound Name3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline
PubChem CID107347330
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline
SMILESCN(C)CC1CCN(Cc2cccc(N)c2F)CC1
InChIInChI=1S/C15H24FN3/c1-18(2)10-12-6-8-19(9-7-12)11-13-4-3-5-14(17)15(13)16/h3-5,12H,6-11,17H2,1-2H3
InChIKeyHLHKLQFMUSHXQU-UHFFFAOYSA-N
XLogP2.18
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline 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

2-[2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenyl]acetic acid
CID 115462730
1-[1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 62893815
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxyaniline
CID 115413949
1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986245
3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline
CID 107347423
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluoroaniline
CID 107347257
1-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 106906163
3-[[4-(azetidin-1-ylsulfonyl)piperazin-1-yl]methyl]-2-fluoroaniline
CID 141137870
1-[1-[(6-hydrazinyl-2-pyridinyl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 79243735
2-[4-[(3-amino-2-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 107347588
2-fluoro-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]aniline
CID 107347469
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine
CID 62643133

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline?
The IUPAC name of 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline (CID 107347330) is 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline.
What is the SMILES notation for 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline?
The canonical SMILES for 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline is CN(C)CC1CCN(Cc2cccc(N)c2F)CC1.
What is the InChIKey of 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline?
The InChIKey is HLHKLQFMUSHXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-18(2)10-12-6-8-19(9-7-12)11-13-4-3-5-14(17)15(13)16/h3-5,12H,6-11,17H2,1-2H3.
What are the key properties of 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline?
3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline has a molecular weight of 265.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline is sourced from PubChem (CID 107347330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).