3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline

C16H25FN2 — CID 107347423

IUPAC3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline
SMILESCCC1(CC)CCN(Cc2cccc(N)c2F)CC1
InChIInChI=1S/C16H25FN2/c1-3-16(4-2)8-10-19(11-9-16)12-13-6-5-7-14(18)15(13)17/h5-7H,3-4,8-12,18H2,1-2H3
InChIKeyRGBUCNKTTQBNTA-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.81
Rot. Bonds4

About 3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline

3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline (PubChem CID 107347423) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline
PubChem CID107347423
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline
SMILESCCC1(CC)CCN(Cc2cccc(N)c2F)CC1
InChIInChI=1S/C16H25FN2/c1-3-16(4-2)8-10-19(11-9-16)12-13-6-5-7-14(18)15(13)17/h5-7H,3-4,8-12,18H2,1-2H3
InChIKeyRGBUCNKTTQBNTA-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline
CID 107274472
[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107113388
2-[4-[(3-amino-2-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 107347588
1-[(3-amino-2-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 114081797
3-[(3,3-diethylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarbothioamide
CID 107115651
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluoroaniline
CID 107347257
3-[[4-(azetidin-1-ylsulfonyl)piperazin-1-yl]methyl]-2-fluoroaniline
CID 141137870
3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline
CID 107347330
3-[(3,3-diethylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide
CID 107117979
2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline
CID 115414111
[3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine
CID 107113370
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline?
The IUPAC name of 3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline (CID 107347423) is 3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for 3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline?
The canonical SMILES for 3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline is CCC1(CC)CCN(Cc2cccc(N)c2F)CC1.
What is the InChIKey of 3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline?
The InChIKey is RGBUCNKTTQBNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-16(4-2)8-10-19(11-9-16)12-13-6-5-7-14(18)15(13)17/h5-7H,3-4,8-12,18H2,1-2H3.
What are the key properties of 3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline?
3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline has a molecular weight of 264.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 107347423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).