[(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone

C20H23FN2O — CID 28766858

IUPAC[(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone
SMILESNCC[C@H]1CCCN(C(=O)c2ccccc2-c2ccccc2F)C1
InChIInChI=1S/C20H23FN2O/c21-19-10-4-3-8-17(19)16-7-1-2-9-18(16)20(24)23-13-5-6-15(14-23)11-12-22/h1-4,7-10,15H,5-6,11-14,22H2/t15-/m1/s1
InChIKeyYCNGQMZONLIEOK-OAHLLOKOSA-N
MW326.42 g/mol
LogP3.69
Rot. Bonds4

About [(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone

[(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone (PubChem CID 28766858) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is [(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone
PubChem CID28766858
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name[(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone
SMILESNCC[C@H]1CCCN(C(=O)c2ccccc2-c2ccccc2F)C1
InChIInChI=1S/C20H23FN2O/c21-19-10-4-3-8-17(19)16-7-1-2-9-18(16)20(24)23-13-5-6-15(14-23)11-12-22/h1-4,7-10,15H,5-6,11-14,22H2/t15-/m1/s1
InChIKeyYCNGQMZONLIEOK-OAHLLOKOSA-N
XLogP3.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 120727748
[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone;hydrochloride
CID 120727493
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone;dihydrochloride
CID 120727383
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63765748
[3-(2-aminoethyl)piperidin-1-yl]-(4-chloro-2,5-difluorophenyl)methanone
CID 82771490
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 63767654
[3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120727378
[3-(2-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride
CID 120727536
[3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 63765932
[3-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102884020
2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]benzonitrile
CID 95463717

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone?
The IUPAC name of [(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone (CID 28766858) is [(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone?
The canonical SMILES for [(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone is NCC[C@H]1CCCN(C(=O)c2ccccc2-c2ccccc2F)C1.
What is the InChIKey of [(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone?
The InChIKey is YCNGQMZONLIEOK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23FN2O/c21-19-10-4-3-8-17(19)16-7-1-2-9-18(16)20(24)23-13-5-6-15(14-23)11-12-22/h1-4,7-10,15H,5-6,11-14,22H2/t15-/m1/s1.
What are the key properties of [(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone?
[(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone has a molecular weight of 326.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone is sourced from PubChem (CID 28766858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).