(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone

C21H23FN2O2 — CID 124687008

IUPAC(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone
SMILESCNC[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C21H23FN2O2/c1-23-13-15-5-4-12-24(14-15)21(26)19-7-3-2-6-18(19)20(25)16-8-10-17(22)11-9-16/h2-3,6-11,15,23H,4-5,12-14H2,1H3/t15-/m0/s1
InChIKeyYHPGCXREHFYPDU-HNNXBMFYSA-N
MW354.43 g/mol
LogP3.13
Rot. Bonds5

About (4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone

(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone (PubChem CID 124687008) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone
PubChem CID124687008
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone
SMILESCNC[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C21H23FN2O2/c1-23-13-15-5-4-12-24(14-15)21(26)19-7-3-2-6-18(19)20(25)16-8-10-17(22)11-9-16/h2-3,6-11,15,23H,4-5,12-14H2,1H3/t15-/m0/s1
InChIKeyYHPGCXREHFYPDU-HNNXBMFYSA-N
XLogP3.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride
CID 119398089
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270
(4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone
CID 39975265
(4-fluorophenyl)-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone
CID 42945605
4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42592562
[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397492
[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone
CID 110886887
(E)-3-(4-fluorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]but-2-en-1-one
CID 132969898

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone (CID 124687008) is (4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone is CNC[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone?
The InChIKey is YHPGCXREHFYPDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-23-13-15-5-4-12-24(14-15)21(26)19-7-3-2-6-18(19)20(25)16-8-10-17(22)11-9-16/h2-3,6-11,15,23H,4-5,12-14H2,1H3/t15-/m0/s1.
What are the key properties of (4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone?
(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone has a molecular weight of 354.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone is sourced from PubChem (CID 124687008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).