[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]methanone

C25H24F2N2O2 — CID 69029671

IUPAC[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]methanone
SMILESNCc1cccc(C2CCN(C(=O)c3cc(-c4ccc(F)cc4F)ccc3O)CC2)c1
InChIInChI=1S/C25H24F2N2O2/c26-20-5-6-21(23(27)14-20)19-4-7-24(30)22(13-19)25(31)29-10-8-17(9-11-29)18-3-1-2-16(12-18)15-28/h1-7,12-14,17,30H,8-11,15,28H2
InChIKeyBUZRJYKAGHHNGZ-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.82
Rot. Bonds4

About [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]methanone

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]methanone (PubChem CID 69029671) has the molecular formula C25H24F2N2O2 and a molecular weight of 422.48 g/mol. Its IUPAC name is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]methanone.

Molecular Properties

Compound Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]methanone
PubChem CID69029671
Molecular FormulaC25H24F2N2O2
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]methanone
SMILESNCc1cccc(C2CCN(C(=O)c3cc(-c4ccc(F)cc4F)ccc3O)CC2)c1
InChIInChI=1S/C25H24F2N2O2/c26-20-5-6-21(23(27)14-20)19-4-7-24(30)22(13-19)25(31)29-10-8-17(9-11-29)18-3-1-2-16(12-18)15-28/h1-7,12-14,17,30H,8-11,15,28H2
InChIKeyBUZRJYKAGHHNGZ-UHFFFAOYSA-N
XLogP4.82
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]methanone with MolForge

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Related Compounds

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 23587338
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 23587319
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone
CID 22265908
(2-amino-3,5-dichlorophenyl)-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]methanone
CID 23587256
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 70947721
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-ethynyl-3-[4-(hydroxymethyl)phenyl]phenyl]methanone;hydrochloride
CID 175234876
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 23587301
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 23587399
2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone
CID 22266044

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]methanone?
The IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]methanone (CID 69029671) is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]methanone.
What is the SMILES notation for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]methanone?
The canonical SMILES for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]methanone is NCc1cccc(C2CCN(C(=O)c3cc(-c4ccc(F)cc4F)ccc3O)CC2)c1.
What is the InChIKey of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]methanone?
The InChIKey is BUZRJYKAGHHNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O2/c26-20-5-6-21(23(27)14-20)19-4-7-24(30)22(13-19)25(31)29-10-8-17(9-11-29)18-3-1-2-16(12-18)15-28/h1-7,12-14,17,30H,8-11,15,28H2.
What are the key properties of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]methanone?
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]methanone has a molecular weight of 422.48 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]methanone is sourced from PubChem (CID 69029671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).