[(3R)-1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-yl]methanol

C17H27BN2O3 — CID 99909001

IUPAC[(3R)-1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-yl]methanol
SMILESCc1cc(N2CC[C@@H](CO)C2)ncc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H27BN2O3/c1-12-8-15(20-7-6-13(10-20)11-21)19-9-14(12)18-22-16(2,3)17(4,5)23-18/h8-9,13,21H,6-7,10-11H2,1-5H3/t13-/m1/s1
InChIKeyNQKLXAMYGSZTPT-CYBMUJFWSA-N
MW318.23 g/mol
LogP1.51
Rot. Bonds3

About [(3R)-1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-yl]methanol

[(3R)-1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-yl]methanol (PubChem CID 99909001) has the molecular formula C17H27BN2O3 and a molecular weight of 318.23 g/mol. Its IUPAC name is [(3R)-1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-yl]methanol
PubChem CID99909001
Molecular FormulaC17H27BN2O3
Molecular Weight318.23 g/mol
Exact Mass318.21
IUPAC Name[(3R)-1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-yl]methanol
SMILESCc1cc(N2CC[C@@H](CO)C2)ncc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H27BN2O3/c1-12-8-15(20-7-6-13(10-20)11-21)19-9-14(12)18-22-16(2,3)17(4,5)23-18/h8-9,13,21H,6-7,10-11H2,1-5H3/t13-/m1/s1
InChIKeyNQKLXAMYGSZTPT-CYBMUJFWSA-N
XLogP1.51
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-one
CID 76845132
4-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 99905990
[1-(5-amino-4-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79172728
[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407847
2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114796912
4-methyl-2-(piperidin-4-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 76848344
[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 79176830
[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407883
2-(3-methylpyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
CID 66521391
(1-pyrazin-2-ylpyrrolidin-3-yl)methanol
CID 62372065
[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 129393742
[1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 71634268

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-yl]methanol (CID 99909001) is [(3R)-1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-yl]methanol is Cc1cc(N2CC[C@@H](CO)C2)ncc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of [(3R)-1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-yl]methanol?
The InChIKey is NQKLXAMYGSZTPT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27BN2O3/c1-12-8-15(20-7-6-13(10-20)11-21)19-9-14(12)18-22-16(2,3)17(4,5)23-18/h8-9,13,21H,6-7,10-11H2,1-5H3/t13-/m1/s1.
What are the key properties of [(3R)-1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-yl]methanol?
[(3R)-1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-yl]methanol has a molecular weight of 318.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 99909001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).