1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine

C15H23FN2 — CID 63854996

IUPAC1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
SMILESCNC(C)C1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN2/c1-12(17-2)14-6-8-18(9-7-14)11-13-4-3-5-15(16)10-13/h3-5,10,12,14,17H,6-9,11H2,1-2H3
InChIKeyXYDDSUGXNNDBHE-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.65
Rot. Bonds4

About 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine

1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine (PubChem CID 63854996) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
PubChem CID63854996
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
SMILESCNC(C)C1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN2/c1-12(17-2)14-6-8-18(9-7-14)11-13-4-3-5-15(16)10-13/h3-5,10,12,14,17H,6-9,11H2,1-2H3
InChIKeyXYDDSUGXNNDBHE-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 114345610
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62593443
1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 162490790
N-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine
CID 54975188
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 63854479
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62593105
N-butan-2-yl-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide
CID 19574348
N,3-diethyl-1-[(3-fluorophenyl)methyl]piperidin-4-amine
CID 114507392
(1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol
CID 97038981
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
1-(1-benzylpiperidin-4-yl)-N-ethylethanamine
CID 63854656

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine (CID 63854996) is 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine is CNC(C)C1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine?
The InChIKey is XYDDSUGXNNDBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12(17-2)14-6-8-18(9-7-14)11-13-4-3-5-15(16)10-13/h3-5,10,12,14,17H,6-9,11H2,1-2H3.
What are the key properties of 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine?
1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 63854996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).