4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride

C14H27BClNO2 — CID 155859006

IUPAC4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride
SMILESCC1(C)OB([C@@H]2C[C@H]2C2CCNCC2)OC1(C)C.Cl
InChIInChI=1S/C14H26BNO2.ClH/c1-13(2)14(3,4)18-15(17-13)12-9-11(12)10-5-7-16-8-6-10;/h10-12,16H,5-9H2,1-4H3;1H/t11-,12+;/m0./s1
InChIKeyQUIJVEXIOWDVAA-ZVWHLABXSA-N
MW287.64 g/mol
LogP2.89
Rot. Bonds2

About 4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride

4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride (PubChem CID 155859006) has the molecular formula C14H27BClNO2 and a molecular weight of 287.64 g/mol. Its IUPAC name is 4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride
PubChem CID155859006
Molecular FormulaC14H27BClNO2
Molecular Weight287.64 g/mol
Exact Mass287.18
IUPAC Name4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride
SMILESCC1(C)OB([C@@H]2C[C@H]2C2CCNCC2)OC1(C)C.Cl
InChIInChI=1S/C14H26BNO2.ClH/c1-13(2)14(3,4)18-15(17-13)12-9-11(12)10-5-7-16-8-6-10;/h10-12,16H,5-9H2,1-4H3;1H/t11-,12+;/m0./s1
InChIKeyQUIJVEXIOWDVAA-ZVWHLABXSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.64
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride?
The IUPAC name of 4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride (CID 155859006) is 4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride is CC1(C)OB([C@@H]2C[C@H]2C2CCNCC2)OC1(C)C.Cl.
What is the InChIKey of 4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride?
The InChIKey is QUIJVEXIOWDVAA-ZVWHLABXSA-N. The full InChI is InChI=1S/C14H26BNO2.ClH/c1-13(2)14(3,4)18-15(17-13)12-9-11(12)10-5-7-16-8-6-10;/h10-12,16H,5-9H2,1-4H3;1H/t11-,12+;/m0./s1.
What are the key properties of 4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride?
4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride has a molecular weight of 287.64 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride is sourced from PubChem (CID 155859006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).