1-[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)methyl]-4-phenylpiperidine

C19H22BNO2 — CID 139015644

IUPAC1-[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)methyl]-4-phenylpiperidine
SMILESOB1OCc2cccc(CN3CCC(c4ccccc4)CC3)c21
InChIInChI=1S/C19H22BNO2/c22-20-19-17(7-4-8-18(19)14-23-20)13-21-11-9-16(10-12-21)15-5-2-1-3-6-15/h1-8,16,22H,9-14H2
InChIKeyPZFOPJGLVIHVFV-UHFFFAOYSA-N
MW307.20 g/mol
LogP2.28
Rot. Bonds3

About 1-[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)methyl]-4-phenylpiperidine

1-[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)methyl]-4-phenylpiperidine (PubChem CID 139015644) has the molecular formula C19H22BNO2 and a molecular weight of 307.20 g/mol. Its IUPAC name is 1-[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)methyl]-4-phenylpiperidine.

Molecular Properties

Compound Name1-[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)methyl]-4-phenylpiperidine
PubChem CID139015644
Molecular FormulaC19H22BNO2
Molecular Weight307.20 g/mol
Exact Mass307.17
IUPAC Name1-[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)methyl]-4-phenylpiperidine
SMILESOB1OCc2cccc(CN3CCC(c4ccccc4)CC3)c21
InChIInChI=1S/C19H22BNO2/c22-20-19-17(7-4-8-18(19)14-23-20)13-21-11-9-16(10-12-21)15-5-2-1-3-6-15/h1-8,16,22H,9-14H2
InChIKeyPZFOPJGLVIHVFV-UHFFFAOYSA-N
XLogP2.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-hydroxy-3H-2,1-benzoxaborol-7-yl)methanol
CID 24966978
1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine
CID 156786556
2-[2-[[(4R)-4-phenylazepan-1-yl]methyl]phenoxy]acetic acid
CID 99946154
2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]acetamide
CID 70002970
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
4-[[3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]phenyl]methyl]morpholine
CID 129059200
[3-[(3-phenylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62472032
4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 146018012
(3R)-3-phenyl-1-prop-2-enylpyrrolidine
CID 1414729
trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 70691042
1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407
2-[4-((1,2,3,4,5,6-13C6)cyclohexatrienyl)(3,4,5-13C3)azinan-1-yl]-1,1,2,2-tetradeuterio(113C)ethanamine
CID 89308417

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)methyl]-4-phenylpiperidine?
The IUPAC name of 1-[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)methyl]-4-phenylpiperidine (CID 139015644) is 1-[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)methyl]-4-phenylpiperidine.
What is the SMILES notation for 1-[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)methyl]-4-phenylpiperidine?
The canonical SMILES for 1-[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)methyl]-4-phenylpiperidine is OB1OCc2cccc(CN3CCC(c4ccccc4)CC3)c21.
What is the InChIKey of 1-[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)methyl]-4-phenylpiperidine?
The InChIKey is PZFOPJGLVIHVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BNO2/c22-20-19-17(7-4-8-18(19)14-23-20)13-21-11-9-16(10-12-21)15-5-2-1-3-6-15/h1-8,16,22H,9-14H2.
What are the key properties of 1-[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)methyl]-4-phenylpiperidine?
1-[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)methyl]-4-phenylpiperidine has a molecular weight of 307.20 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)methyl]-4-phenylpiperidine is sourced from PubChem (CID 139015644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).