[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-fluorophenyl]-(4-phenylpiperidin-1-yl)methanone

C22H24F2N2O2 — CID 146417808

IUPAC[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-fluorophenyl]-(4-phenylpiperidin-1-yl)methanone
SMILESNC/C(=C\F)COc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1F
InChIInChI=1S/C22H24F2N2O2/c23-13-16(14-25)15-28-21-7-6-19(12-20(21)24)22(27)26-10-8-18(9-11-26)17-4-2-1-3-5-17/h1-7,12-13,18H,8-11,14-15,25H2/b16-13+
InChIKeyALEJASIAFWNPAN-DTQAZKPQSA-N
MW386.44 g/mol
LogP4.04
Rot. Bonds6

About [4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-fluorophenyl]-(4-phenylpiperidin-1-yl)methanone

[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-fluorophenyl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 146417808) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is [4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-fluorophenyl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-fluorophenyl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID146417808
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-fluorophenyl]-(4-phenylpiperidin-1-yl)methanone
SMILESNC/C(=C\F)COc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1F
InChIInChI=1S/C22H24F2N2O2/c23-13-16(14-25)15-28-21-7-6-19(12-20(21)24)22(27)26-10-8-18(9-11-26)17-4-2-1-3-5-17/h1-7,12-13,18H,8-11,14-15,25H2/b16-13+
InChIKeyALEJASIAFWNPAN-DTQAZKPQSA-N
XLogP4.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 146427603
3,4-dihydro-1H-isoquinolin-2-yl-[3-fluoro-4-[2-(fluoromethylidene)butoxy]phenyl]methanone
CID 158206370
(4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110762195
(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone
CID 121146218
2-[3-(4-phenylazepane-1-carbonyl)phenoxy]acetic acid
CID 119184005
2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione
CID 633858
N,N-dimethyl-2-[2-(4-phenylpiperidine-1-carbonyl)phenoxy]acetamide
CID 39580956
[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 44765726
(3-ethylphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 90124178
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110762207
(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone
CID 70598788

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-fluorophenyl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-fluorophenyl]-(4-phenylpiperidin-1-yl)methanone (CID 146417808) is [4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-fluorophenyl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-fluorophenyl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-fluorophenyl]-(4-phenylpiperidin-1-yl)methanone is NC/C(=C\F)COc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1F.
What is the InChIKey of [4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-fluorophenyl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is ALEJASIAFWNPAN-DTQAZKPQSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c23-13-16(14-25)15-28-21-7-6-19(12-20(21)24)22(27)26-10-8-18(9-11-26)17-4-2-1-3-5-17/h1-7,12-13,18H,8-11,14-15,25H2/b16-13+.
What are the key properties of [4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-fluorophenyl]-(4-phenylpiperidin-1-yl)methanone?
[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-fluorophenyl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 386.44 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-fluorophenyl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 146417808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).