1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine

C15H30BNO2 — CID 155892152

IUPAC1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine
SMILESCC(C)N1CCC(CB2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C15H30BNO2/c1-12(2)17-9-7-13(8-10-17)11-16-18-14(3,4)15(5,6)19-16/h12-13H,7-11H2,1-6H3
InChIKeyFGPYUCCNXXXVQP-UHFFFAOYSA-N
MW267.22 g/mol
LogP3.20
Rot. Bonds3

About 1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine

1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine (PubChem CID 155892152) has the molecular formula C15H30BNO2 and a molecular weight of 267.22 g/mol. Its IUPAC name is 1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine.

Molecular Properties

Compound Name1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine
PubChem CID155892152
Molecular FormulaC15H30BNO2
Molecular Weight267.22 g/mol
Exact Mass267.24
IUPAC Name1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine
SMILESCC(C)N1CCC(CB2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C15H30BNO2/c1-12(2)17-9-7-13(8-10-17)11-16-18-14(3,4)15(5,6)19-16/h12-13H,7-11H2,1-6H3
InChIKeyFGPYUCCNXXXVQP-UHFFFAOYSA-N
XLogP3.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyclopropyl-2-methylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140824906
2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine
CID 117228778
2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227807
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
deca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine
CID 167581175
[2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine
CID 117168727
5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane
CID 117226361
4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane
CID 176936173
N-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine
CID 178102077
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530
1,4-di(propan-2-yl)piperidine
CID 21303253

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine?
The IUPAC name of 1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine (CID 155892152) is 1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine.
What is the SMILES notation for 1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine?
The canonical SMILES for 1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine is CC(C)N1CCC(CB2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of 1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine?
The InChIKey is FGPYUCCNXXXVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BNO2/c1-12(2)17-9-7-13(8-10-17)11-16-18-14(3,4)15(5,6)19-16/h12-13H,7-11H2,1-6H3.
What are the key properties of 1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine?
1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine has a molecular weight of 267.22 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine is sourced from PubChem (CID 155892152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).