[4-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]phenyl]boronic acid

C14H22BNO2 — CID 100911234

IUPAC[4-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]phenyl]boronic acid
SMILESCC1CCN([C@H](C)c2ccc(B(O)O)cc2)CC1
InChIInChI=1S/C14H22BNO2/c1-11-7-9-16(10-8-11)12(2)13-3-5-14(6-4-13)15(17)18/h3-6,11-12,17-18H,7-10H2,1-2H3/t12-/m1/s1
InChIKeyLZQGFPBEYKEQOO-GFCCVEGCSA-N
MW247.15 g/mol
LogP1.16
Rot. Bonds3

About [4-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]phenyl]boronic acid

[4-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]phenyl]boronic acid (PubChem CID 100911234) has the molecular formula C14H22BNO2 and a molecular weight of 247.15 g/mol. Its IUPAC name is [4-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]phenyl]boronic acid
PubChem CID100911234
Molecular FormulaC14H22BNO2
Molecular Weight247.15 g/mol
Exact Mass247.17
IUPAC Name[4-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]phenyl]boronic acid
SMILESCC1CCN([C@H](C)c2ccc(B(O)O)cc2)CC1
InChIInChI=1S/C14H22BNO2/c1-11-7-9-16(10-8-11)12(2)13-3-5-14(6-4-13)15(17)18/h3-6,11-12,17-18H,7-10H2,1-2H3/t12-/m1/s1
InChIKeyLZQGFPBEYKEQOO-GFCCVEGCSA-N
XLogP1.16
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]phenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]boronic acid
CID 91759185
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine
CID 86887618
1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 43130879
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
(3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol
CID 126787911
1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 119908451
[4-[2,4-bis(4-boronophenyl)pentan-3-yl]phenyl]boronic acid
CID 153280618
4-methyl-1-(3-phenylbutan-2-yl)piperidine
CID 176713457
[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]boronic acid
CID 91759299
1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920985
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]phenyl]boronic acid?
The IUPAC name of [4-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]phenyl]boronic acid (CID 100911234) is [4-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]phenyl]boronic acid.
What is the SMILES notation for [4-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]phenyl]boronic acid?
The canonical SMILES for [4-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]phenyl]boronic acid is CC1CCN([C@H](C)c2ccc(B(O)O)cc2)CC1.
What is the InChIKey of [4-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]phenyl]boronic acid?
The InChIKey is LZQGFPBEYKEQOO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22BNO2/c1-11-7-9-16(10-8-11)12(2)13-3-5-14(6-4-13)15(17)18/h3-6,11-12,17-18H,7-10H2,1-2H3/t12-/m1/s1.
What are the key properties of [4-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]phenyl]boronic acid?
[4-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]phenyl]boronic acid has a molecular weight of 247.15 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]phenyl]boronic acid is sourced from PubChem (CID 100911234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).