(3R,4R)-1-[(5-bromofuran-2-yl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol

C15H23BrN2O2 — CID 87053306

IUPAC(3R,4R)-1-[(5-bromofuran-2-yl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESC[C@@]1(O)CCN(Cc2ccc(Br)o2)C[C@H]1N1CCCC1
InChIInChI=1S/C15H23BrN2O2/c1-15(19)6-9-17(10-12-4-5-14(16)20-12)11-13(15)18-7-2-3-8-18/h4-5,13,19H,2-3,6-11H2,1H3/t13-,15-/m1/s1
InChIKeyBZTORPPZIPYUBB-UKRRQHHQSA-N
MW343.27 g/mol
LogP2.46
Rot. Bonds3

About (3R,4R)-1-[(5-bromofuran-2-yl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol

(3R,4R)-1-[(5-bromofuran-2-yl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol (PubChem CID 87053306) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is (3R,4R)-1-[(5-bromofuran-2-yl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(5-bromofuran-2-yl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
PubChem CID87053306
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name(3R,4R)-1-[(5-bromofuran-2-yl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESC[C@@]1(O)CCN(Cc2ccc(Br)o2)C[C@H]1N1CCCC1
InChIInChI=1S/C15H23BrN2O2/c1-15(19)6-9-17(10-12-4-5-14(16)20-12)11-13(15)18-7-2-3-8-18/h4-5,13,19H,2-3,6-11H2,1H3/t13-,15-/m1/s1
InChIKeyBZTORPPZIPYUBB-UKRRQHHQSA-N
XLogP2.46
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(5-bromofuran-2-yl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The IUPAC name of (3R,4R)-1-[(5-bromofuran-2-yl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol (CID 87053306) is (3R,4R)-1-[(5-bromofuran-2-yl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-[(5-bromofuran-2-yl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-1-[(5-bromofuran-2-yl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol is C[C@@]1(O)CCN(Cc2ccc(Br)o2)C[C@H]1N1CCCC1.
What is the InChIKey of (3R,4R)-1-[(5-bromofuran-2-yl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The InChIKey is BZTORPPZIPYUBB-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-15(19)6-9-17(10-12-4-5-14(16)20-12)11-13(15)18-7-2-3-8-18/h4-5,13,19H,2-3,6-11H2,1H3/t13-,15-/m1/s1.
What are the key properties of (3R,4R)-1-[(5-bromofuran-2-yl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
(3R,4R)-1-[(5-bromofuran-2-yl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol has a molecular weight of 343.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(5-bromofuran-2-yl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol is sourced from PubChem (CID 87053306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).