[1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine

C16H25FN2 — CID 114960156

IUPAC[1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine
SMILESCCC(c1ccccc1F)N1CCC(C)C(CN)C1
InChIInChI=1S/C16H25FN2/c1-3-16(14-6-4-5-7-15(14)17)19-9-8-12(2)13(10-18)11-19/h4-7,12-13,16H,3,8-11,18H2,1-2H3
InChIKeyISQUDABNBFVTLR-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.19
Rot. Bonds4

About [1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine

[1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine (PubChem CID 114960156) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is [1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine
PubChem CID114960156
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name[1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine
SMILESCCC(c1ccccc1F)N1CCC(C)C(CN)C1
InChIInChI=1S/C16H25FN2/c1-3-16(14-6-4-5-7-15(14)17)19-9-8-12(2)13(10-18)11-19/h4-7,12-13,16H,3,8-11,18H2,1-2H3
InChIKeyISQUDABNBFVTLR-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine
CID 114960002
[1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114959902
[1-[1-(2-fluorophenyl)propyl]piperidin-2-yl]methanamine
CID 112679200
[1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114959943
2-(2,3-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 63669105
[4-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-yl]methanamine
CID 114959769
[1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114083156
[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960772
1-[4-[1-(2-fluorophenyl)propyl]morpholin-2-yl]-N-methylmethanamine
CID 112679246
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 63603473
3-methyl-1-(1-phenylpropyl)piperidin-4-amine
CID 55058050
2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
CID 81199156

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine (CID 114960156) is [1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine is CCC(c1ccccc1F)N1CCC(C)C(CN)C1.
What is the InChIKey of [1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine?
The InChIKey is ISQUDABNBFVTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-16(14-6-4-5-7-15(14)17)19-9-8-12(2)13(10-18)11-19/h4-7,12-13,16H,3,8-11,18H2,1-2H3.
What are the key properties of [1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine?
[1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine has a molecular weight of 264.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114960156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).