2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone

C27H28N2O3 — CID 22266044

IUPAC2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone
SMILESNCc1cccc(C2CCN(C(=O)c3cccc(CC(=O)c4ccc(O)cc4)c3)CC2)c1
InChIInChI=1S/C27H28N2O3/c28-18-20-4-2-5-23(16-20)21-11-13-29(14-12-21)27(32)24-6-1-3-19(15-24)17-26(31)22-7-9-25(30)10-8-22/h1-10,15-16,21,30H,11-14,17-18,28H2
InChIKeyBOXBITJAYWJXPC-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.30
Rot. Bonds6

About 2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone

2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone (PubChem CID 22266044) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone
PubChem CID22266044
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone
SMILESNCc1cccc(C2CCN(C(=O)c3cccc(CC(=O)c4ccc(O)cc4)c3)CC2)c1
InChIInChI=1S/C27H28N2O3/c28-18-20-4-2-5-23(16-20)21-11-13-29(14-12-21)27(32)24-6-1-3-19(15-24)17-26(31)22-7-9-25(30)10-8-22/h1-10,15-16,21,30H,11-14,17-18,28H2
InChIKeyBOXBITJAYWJXPC-UHFFFAOYSA-N
XLogP4.30
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone with MolForge

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Related Compounds

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
CID 139986726
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
[7-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]naphthalen-1-yl]boronic acid
CID 90206946
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone
CID 23587180
[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]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone
CID 90213570
[7-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]quinolin-2-yl]boronic acid
CID 90207008
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 23587361
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone
CID 22265908
1-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-3-(2-oxocyclobutyl)urea
CID 67115231

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone?
The IUPAC name of 2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone (CID 22266044) is 2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone is NCc1cccc(C2CCN(C(=O)c3cccc(CC(=O)c4ccc(O)cc4)c3)CC2)c1.
What is the InChIKey of 2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone?
The InChIKey is BOXBITJAYWJXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c28-18-20-4-2-5-23(16-20)21-11-13-29(14-12-21)27(32)24-6-1-3-19(15-24)17-26(31)22-7-9-25(30)10-8-22/h1-10,15-16,21,30H,11-14,17-18,28H2.
What are the key properties of 2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone?
2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone has a molecular weight of 428.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 22266044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).