1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone

C21H25FN2O — CID 108997532

IUPAC1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone
SMILESO=C(CNCc1ccccc1F)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H25FN2O/c22-20-9-5-4-8-19(20)15-23-16-21(25)24-12-10-18(11-13-24)14-17-6-2-1-3-7-17/h1-9,18,23H,10-16H2
InChIKeyFHWDGYQYRORJGI-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.40
Rot. Bonds6

About 1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone

1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone (PubChem CID 108997532) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone
PubChem CID108997532
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone
SMILESO=C(CNCc1ccccc1F)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H25FN2O/c22-20-9-5-4-8-19(20)15-23-16-21(25)24-12-10-18(11-13-24)14-17-6-2-1-3-7-17/h1-9,18,23H,10-16H2
InChIKeyFHWDGYQYRORJGI-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744
2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993727
1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone
CID 108996770
2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8539276
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000628
N-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid
CID 175652870
2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
[3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea
CID 42953247
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide
CID 112995482

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone (CID 108997532) is 1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone is O=C(CNCc1ccccc1F)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone?
The InChIKey is FHWDGYQYRORJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c22-20-9-5-4-8-19(20)15-23-16-21(25)24-12-10-18(11-13-24)14-17-6-2-1-3-7-17/h1-9,18,23H,10-16H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone?
1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone has a molecular weight of 340.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone is sourced from PubChem (CID 108997532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).