2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate

C16H22BrNO2 — CID 155605208

IUPAC2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate
SMILESCC(C)(OC(=O)Cc1ccccc1Br)C1CCNCC1
InChIInChI=1S/C16H22BrNO2/c1-16(2,13-7-9-18-10-8-13)20-15(19)11-12-5-3-4-6-14(12)17/h3-6,13,18H,7-11H2,1-2H3
InChIKeyPSCMAFRPVVAHKS-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.31
Rot. Bonds4

About 2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate

2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate (PubChem CID 155605208) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate
PubChem CID155605208
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate
SMILESCC(C)(OC(=O)Cc1ccccc1Br)C1CCNCC1
InChIInChI=1S/C16H22BrNO2/c1-16(2,13-7-9-18-10-8-13)20-15(19)11-12-5-3-4-6-14(12)17/h3-6,13,18H,7-11H2,1-2H3
InChIKeyPSCMAFRPVVAHKS-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate
CID 155075664
2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate
CID 155075781
2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate
CID 155075742
2-piperidin-4-ylpropan-2-yl propanoate
CID 155605403
2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate
CID 155076614
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate
CID 155075328
2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate
CID 157326852
2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate
CID 155605361
2-piperidin-4-ylpropan-2-yl 2-sulfanylacetate
CID 168757919
2-piperidin-4-ylpropan-2-yl 4-bromobenzoate
CID 155605413
2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate
CID 155075940
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate
CID 155076034

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate (CID 155605208) is 2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate is CC(C)(OC(=O)Cc1ccccc1Br)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate?
The InChIKey is PSCMAFRPVVAHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-16(2,13-7-9-18-10-8-13)20-15(19)11-12-5-3-4-6-14(12)17/h3-6,13,18H,7-11H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate?
2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate has a molecular weight of 340.26 g/mol, XLogP of 3.31, 4 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 2-(2-bromophenyl)acetate is sourced from PubChem (CID 155605208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).