2-piperidin-4-ylpropan-2-yl 4-bromobenzoate

C15H20BrNO2 — CID 155605413

IUPAC2-piperidin-4-ylpropan-2-yl 4-bromobenzoate
SMILESCC(C)(OC(=O)c1ccc(Br)cc1)C1CCNCC1
InChIInChI=1S/C15H20BrNO2/c1-15(2,12-7-9-17-10-8-12)19-14(18)11-3-5-13(16)6-4-11/h3-6,12,17H,7-10H2,1-2H3
InChIKeyBEZOURIWFVVXQL-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.38
Rot. Bonds3

About 2-piperidin-4-ylpropan-2-yl 4-bromobenzoate

2-piperidin-4-ylpropan-2-yl 4-bromobenzoate (PubChem CID 155605413) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 4-bromobenzoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 4-bromobenzoate
PubChem CID155605413
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-piperidin-4-ylpropan-2-yl 4-bromobenzoate
SMILESCC(C)(OC(=O)c1ccc(Br)cc1)C1CCNCC1
InChIInChI=1S/C15H20BrNO2/c1-15(2,12-7-9-17-10-8-12)19-14(18)11-3-5-13(16)6-4-11/h3-6,12,17H,7-10H2,1-2H3
InChIKeyBEZOURIWFVVXQL-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-piperidin-4-ylpropan-2-yl) 5-bromobenzene-1,3-dicarboxylate
CID 155605297
bis(2-piperidin-4-ylpropan-2-yl) 4-bromobenzene-1,3-dicarboxylate
CID 155605322
2-piperidin-4-ylpropan-2-yl 4-bromo-3-methylbenzoate
CID 155605314
2-piperidin-4-ylpropan-2-yl 3-bromo-5-iodobenzoate
CID 154609259
2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate
CID 155075487
2-piperidin-4-ylpropan-2-yl (E)-3-(4-bromophenyl)prop-2-enoate
CID 155605294
2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate
CID 155075746
2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate
CID 155075561
2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate
CID 155605361
2-piperidin-4-ylpropan-2-yl 2-bromo-5-iodobenzoate
CID 154609291
2-piperidin-4-ylpropan-2-yl 4-methyl-3-nitrobenzoate
CID 155605324
2-piperidin-4-ylpropan-2-yl 2,2,2-tribromoacetate
CID 155605248

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 4-bromobenzoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 4-bromobenzoate (CID 155605413) is 2-piperidin-4-ylpropan-2-yl 4-bromobenzoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 4-bromobenzoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 4-bromobenzoate is CC(C)(OC(=O)c1ccc(Br)cc1)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 4-bromobenzoate?
The InChIKey is BEZOURIWFVVXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-15(2,12-7-9-17-10-8-12)19-14(18)11-3-5-13(16)6-4-11/h3-6,12,17H,7-10H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 4-bromobenzoate?
2-piperidin-4-ylpropan-2-yl 4-bromobenzoate has a molecular weight of 326.23 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 4-bromobenzoate is sourced from PubChem (CID 155605413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).