2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline

C15H24FN3 — CID 103590157

IUPAC2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline
SMILESCc1cc(N2CCC(CN(C)C)CC2)c(N)cc1F
InChIInChI=1S/C15H24FN3/c1-11-8-15(14(17)9-13(11)16)19-6-4-12(5-7-19)10-18(2)3/h8-9,12H,4-7,10,17H2,1-3H3
InChIKeySGAVWZPCBUHRKG-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.49
Rot. Bonds3

About 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline

2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline (PubChem CID 103590157) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline
PubChem CID103590157
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline
SMILESCc1cc(N2CCC(CN(C)C)CC2)c(N)cc1F
InChIInChI=1S/C15H24FN3/c1-11-8-15(14(17)9-13(11)16)19-6-4-12(5-7-19)10-18(2)3/h8-9,12H,4-7,10,17H2,1-3H3
InChIKeySGAVWZPCBUHRKG-UHFFFAOYSA-N
XLogP2.49
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.49
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-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline
CID 54985871
5-fluoro-4-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 103590507
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline
CID 103590336
2-(azepan-1-yl)-5-fluoro-4-methylaniline
CID 103589726
3-amino-4-[4-[(dimethylamino)methyl]piperidin-1-yl]benzonitrile
CID 54985970
2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline
CID 103590369
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine
CID 54985825
5-bromo-2-methyl-4-(4-propylpiperidin-1-yl)aniline
CID 114048234
(1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine
CID 63368625
1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62689473
[1-(4-fluoro-5-methyl-2-nitrophenyl)piperidin-4-yl]methanamine
CID 103594139
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methylpyridin-3-amine
CID 62477598

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline?
The IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline (CID 103590157) is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline is Cc1cc(N2CCC(CN(C)C)CC2)c(N)cc1F.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline?
The InChIKey is SGAVWZPCBUHRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-11-8-15(14(17)9-13(11)16)19-6-4-12(5-7-19)10-18(2)3/h8-9,12H,4-7,10,17H2,1-3H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline?
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline has a molecular weight of 265.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline is sourced from PubChem (CID 103590157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).