2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine

C15H23FN2 — CID 106532879

IUPAC2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
SMILESCC1CCC(C)N(c2cc(F)cc(CCN)c2)C1
InChIInChI=1S/C15H23FN2/c1-11-3-4-12(2)18(10-11)15-8-13(5-6-17)7-14(16)9-15/h7-9,11-12H,3-6,10,17H2,1-2H3
InChIKeyIPVWGPUNVVLVRM-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.95
Rot. Bonds3

About 2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine

2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine (PubChem CID 106532879) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
PubChem CID106532879
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
SMILESCC1CCC(C)N(c2cc(F)cc(CCN)c2)C1
InChIInChI=1S/C15H23FN2/c1-11-3-4-12(2)18(10-11)15-8-13(5-6-17)7-14(16)9-15/h7-9,11-12H,3-6,10,17H2,1-2H3
InChIKeyIPVWGPUNVVLVRM-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-fluoro-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanamine
CID 106532927
3-(2,5-dimethylpiperidin-1-yl)-5-fluorobenzaldehyde
CID 106529309
2-[3-(5-ethyl-2-methylmorpholin-4-yl)-5-fluorophenyl]ethanamine
CID 106532708
2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 106532388
1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106531107
2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 106532762
1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide
CID 106530891
(E)-3-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]prop-2-enoic acid
CID 106531563
2-[3-fluoro-5-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanamine
CID 106532877
[3-fluoro-5-(3-methylthiomorpholin-4-yl)phenyl]methanamine
CID 102814037
2-[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]ethanamine
CID 106532256
N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533057

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine (CID 106532879) is 2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine is CC1CCC(C)N(c2cc(F)cc(CCN)c2)C1.
What is the InChIKey of 2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
The InChIKey is IPVWGPUNVVLVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11-3-4-12(2)18(10-11)15-8-13(5-6-17)7-14(16)9-15/h7-9,11-12H,3-6,10,17H2,1-2H3.
What are the key properties of 2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 106532879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).