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

C20H33BN2O2 — CID 166092554

IUPAC(2R)-2-methyl-4-propan-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
SMILESCC(C)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](C)C1
InChIInChI=1S/C20H33BN2O2/c1-15(2)22-12-13-23(16(3)14-22)18-10-8-17(9-11-18)21-24-19(4,5)20(6,7)25-21/h8-11,15-16H,12-14H2,1-7H3/t16-/m1/s1
InChIKeyIMSVYAKKBRJMOJ-MRXNPFEDSA-N
MW344.31 g/mol
LogP2.90
Rot. Bonds3

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

(2R)-2-methyl-4-propan-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine (PubChem CID 166092554) has the molecular formula C20H33BN2O2 and a molecular weight of 344.31 g/mol. Its IUPAC name is (2R)-2-methyl-4-propan-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine.

Molecular Properties

Compound Name(2R)-2-methyl-4-propan-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
PubChem CID166092554
Molecular FormulaC20H33BN2O2
Molecular Weight344.31 g/mol
Exact Mass344.26
IUPAC Name(2R)-2-methyl-4-propan-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
SMILESCC(C)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](C)C1
InChIInChI=1S/C20H33BN2O2/c1-15(2)22-12-13-23(16(3)14-22)18-10-8-17(9-11-18)21-24-19(4,5)20(6,7)25-21/h8-11,15-16H,12-14H2,1-7H3/t16-/m1/s1
InChIKeyIMSVYAKKBRJMOJ-MRXNPFEDSA-N
XLogP2.90
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,4-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
CID 166092276
3-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 166093297
1-propan-2-yl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
CID 91798600
(2S)-1-methyl-2-propan-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
CID 166092940
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 2795361
(3R)-3-methylsulfinyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine
CID 166093270
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-one
CID 86710933
1-[4-(2-methylbutyl)phenyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
CID 151656721
(2R)-2-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrrolidine
CID 99773652
ethane;4-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine
CID 144637519
3-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-ol
CID 172794168
2-methyl-1-(1-methylpyrazol-3-yl)-4-propan-2-ylpiperazine
CID 176692531

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-propan-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine?
The IUPAC name of (2R)-2-methyl-4-propan-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine (CID 166092554) is (2R)-2-methyl-4-propan-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine.
What is the SMILES notation for (2R)-2-methyl-4-propan-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine?
The canonical SMILES for (2R)-2-methyl-4-propan-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine is CC(C)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](C)C1.
What is the InChIKey of (2R)-2-methyl-4-propan-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine?
The InChIKey is IMSVYAKKBRJMOJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H33BN2O2/c1-15(2)22-12-13-23(16(3)14-22)18-10-8-17(9-11-18)21-24-19(4,5)20(6,7)25-21/h8-11,15-16H,12-14H2,1-7H3/t16-/m1/s1.
What are the key properties of (2R)-2-methyl-4-propan-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine?
(2R)-2-methyl-4-propan-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine has a molecular weight of 344.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-propan-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine is sourced from PubChem (CID 166092554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).