[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone

C23H29N3O2Si — CID 90213723

IUPAC[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone
SMILESC[Si](C)(O)c1cc2c(C(=O)N3CCC(c4cccc(CN)c4)CC3)cccc2[nH]1
InChIInChI=1S/C23H29N3O2Si/c1-29(2,28)22-14-20-19(7-4-8-21(20)25-22)23(27)26-11-9-17(10-12-26)18-6-3-5-16(13-18)15-24/h3-8,13-14,17,25,28H,9-12,15,24H2,1-2H3
InChIKeyAEGYBVZOMYMZKS-UHFFFAOYSA-N
MW407.59 g/mol
LogP3.05
Rot. Bonds4

About [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone (PubChem CID 90213723) has the molecular formula C23H29N3O2Si and a molecular weight of 407.59 g/mol. Its IUPAC name is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone.

Molecular Properties

Compound Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone
PubChem CID90213723
Molecular FormulaC23H29N3O2Si
Molecular Weight407.59 g/mol
Exact Mass407.20
IUPAC Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone
SMILESC[Si](C)(O)c1cc2c(C(=O)N3CCC(c4cccc(CN)c4)CC3)cccc2[nH]1
InChIInChI=1S/C23H29N3O2Si/c1-29(2,28)22-14-20-19(7-4-8-21(20)25-22)23(27)26-11-9-17(10-12-26)18-6-3-5-16(13-18)15-24/h3-8,13-14,17,25,28H,9-12,15,24H2,1-2H3
InChIKeyAEGYBVZOMYMZKS-UHFFFAOYSA-N
XLogP3.05
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.59
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone
CID 22265908
3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one
CID 22265985
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 23587301
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 23587319
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone
CID 90213570
[5-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]quinolin-3-yl]boronic acid
CID 90207011
(2R)-2-[2-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-indol-4-yl]-2-hydroxypropanoic acid
CID 52933708
(2-amino-3,5-dichlorophenyl)-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]methanone
CID 23587256
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
[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

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone?
The IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone (CID 90213723) is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone.
What is the SMILES notation for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone?
The canonical SMILES for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone is C[Si](C)(O)c1cc2c(C(=O)N3CCC(c4cccc(CN)c4)CC3)cccc2[nH]1.
What is the InChIKey of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone?
The InChIKey is AEGYBVZOMYMZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2Si/c1-29(2,28)22-14-20-19(7-4-8-21(20)25-22)23(27)26-11-9-17(10-12-26)18-6-3-5-16(13-18)15-24/h3-8,13-14,17,25,28H,9-12,15,24H2,1-2H3.
What are the key properties of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone?
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone has a molecular weight of 407.59 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone is sourced from PubChem (CID 90213723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).