methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate

C14H18BrNO2 — CID 116860463

IUPACmethyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate
SMILESCOC(=O)C(c1cccc(Br)c1)N1CCCCC1
InChIInChI=1S/C14H18BrNO2/c1-18-14(17)13(16-8-3-2-4-9-16)11-6-5-7-12(15)10-11/h5-7,10,13H,2-4,8-9H2,1H3
InChIKeyYHLDWCGDQXSGEB-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.15
Rot. Bonds3

About methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate

methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate (PubChem CID 116860463) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate
PubChem CID116860463
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Namemethyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate
SMILESCOC(=O)C(c1cccc(Br)c1)N1CCCCC1
InChIInChI=1S/C14H18BrNO2/c1-18-14(17)13(16-8-3-2-4-9-16)11-6-5-7-12(15)10-11/h5-7,10,13H,2-4,8-9H2,1H3
InChIKeyYHLDWCGDQXSGEB-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
(2R)-2-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 95784766
methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate
CID 116860560
methyl (3S)-1-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 99850820
(2R)-2-(3-bromophenyl)-N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 95785421
3-[[(2S)-2-(3-bromophenyl)-2-pyrrolidin-1-ylacetyl]-methylamino]propanoic acid
CID 125152332
methyl 2-(2-bromophenyl)-2-pyrrolidin-1-ylacetate
CID 116860558
methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate
CID 102294238
4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one
CID 82135319
methyl 2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylacetate
CID 116860526
ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate
CID 154339039
1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine
CID 71395671

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate?
The IUPAC name of methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate (CID 116860463) is methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate.
What is the SMILES notation for methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate?
The canonical SMILES for methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate is COC(=O)C(c1cccc(Br)c1)N1CCCCC1.
What is the InChIKey of methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate?
The InChIKey is YHLDWCGDQXSGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-18-14(17)13(16-8-3-2-4-9-16)11-6-5-7-12(15)10-11/h5-7,10,13H,2-4,8-9H2,1H3.
What are the key properties of methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate?
methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate has a molecular weight of 312.21 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate is sourced from PubChem (CID 116860463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).