[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone

C25H30N2O2Si — CID 90213570

IUPAC[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone
SMILESC[Si](C)(O)c1ccc2ccc(C(=O)N3CCC(c4cccc(CN)c4)CC3)cc2c1
InChIInChI=1S/C25H30N2O2Si/c1-30(2,29)24-9-8-19-6-7-22(15-23(19)16-24)25(28)27-12-10-20(11-13-27)21-5-3-4-18(14-21)17-26/h3-9,14-16,20,29H,10-13,17,26H2,1-2H3
InChIKeyJKHMYEHCXOKMFG-UHFFFAOYSA-N
MW418.61 g/mol
LogP3.72
Rot. Bonds4

About [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone (PubChem CID 90213570) has the molecular formula C25H30N2O2Si and a molecular weight of 418.61 g/mol. Its IUPAC name is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone.

Molecular Properties

Compound Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone
PubChem CID90213570
Molecular FormulaC25H30N2O2Si
Molecular Weight418.61 g/mol
Exact Mass418.21
IUPAC Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone
SMILESC[Si](C)(O)c1ccc2ccc(C(=O)N3CCC(c4cccc(CN)c4)CC3)cc2c1
InChIInChI=1S/C25H30N2O2Si/c1-30(2,29)24-9-8-19-6-7-22(15-23(19)16-24)25(28)27-12-10-20(11-13-27)21-5-3-4-18(14-21)17-26/h3-9,14-16,20,29H,10-13,17,26H2,1-2H3
InChIKeyJKHMYEHCXOKMFG-UHFFFAOYSA-N
XLogP3.72
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[7-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]naphthalen-1-yl]boronic acid
CID 90206946
[7-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]quinolin-2-yl]boronic acid
CID 90207008
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
CID 139986726
2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone
CID 22266044
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 23587361
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone
CID 90213723
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 23587301
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone
CID 22265908
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 23587338

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone?
The IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone (CID 90213570) is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone.
What is the SMILES notation for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone?
The canonical SMILES for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone is C[Si](C)(O)c1ccc2ccc(C(=O)N3CCC(c4cccc(CN)c4)CC3)cc2c1.
What is the InChIKey of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone?
The InChIKey is JKHMYEHCXOKMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2Si/c1-30(2,29)24-9-8-19-6-7-22(15-23(19)16-24)25(28)27-12-10-20(11-13-27)21-5-3-4-18(14-21)17-26/h3-9,14-16,20,29H,10-13,17,26H2,1-2H3.
What are the key properties of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone?
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone has a molecular weight of 418.61 g/mol, XLogP of 3.72, 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]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone is sourced from PubChem (CID 90213570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).