methyl 2-(4-bromopiperidin-1-yl)acetate

C8H14BrNO2 — CID 156858791

IUPACmethyl 2-(4-bromopiperidin-1-yl)acetate
SMILESCOC(=O)CN1CCC(Br)CC1
InChIInChI=1S/C8H14BrNO2/c1-12-8(11)6-10-4-2-7(9)3-5-10/h7H,2-6H2,1H3
InChIKeySYPQDAXQIBBOKC-UHFFFAOYSA-N
MW236.11 g/mol
LogP1.02
Rot. Bonds2

About methyl 2-(4-bromopiperidin-1-yl)acetate

methyl 2-(4-bromopiperidin-1-yl)acetate (PubChem CID 156858791) has the molecular formula C8H14BrNO2 and a molecular weight of 236.11 g/mol. Its IUPAC name is methyl 2-(4-bromopiperidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromopiperidin-1-yl)acetate
PubChem CID156858791
Molecular FormulaC8H14BrNO2
Molecular Weight236.11 g/mol
Exact Mass235.02
IUPAC Namemethyl 2-(4-bromopiperidin-1-yl)acetate
SMILESCOC(=O)CN1CCC(Br)CC1
InChIInChI=1S/C8H14BrNO2/c1-12-8(11)6-10-4-2-7(9)3-5-10/h7H,2-6H2,1H3
InChIKeySYPQDAXQIBBOKC-UHFFFAOYSA-N
XLogP1.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate
CID 69424198
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
CID 63365238
methyl 2-[10-(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]acetate
CID 22889204
methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238
methyl 2-(3-methoxypyrrolidin-1-yl)acetate
CID 103535132
2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid
CID 170916597
methyl 1-(2-methoxy-2-oxoethyl)pyrrolidine-3-carboxylate
CID 14235523
methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate
CID 90717015
ethane;2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 143494242
methyl 2-morpholin-4-ylacetate
CID 1268178
methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate
CID 79323233
methyl 2-(6-azaspiro[2.5]octan-6-yl)acetate
CID 130684620

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromopiperidin-1-yl)acetate?
The IUPAC name of methyl 2-(4-bromopiperidin-1-yl)acetate (CID 156858791) is methyl 2-(4-bromopiperidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-bromopiperidin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-bromopiperidin-1-yl)acetate is COC(=O)CN1CCC(Br)CC1.
What is the InChIKey of methyl 2-(4-bromopiperidin-1-yl)acetate?
The InChIKey is SYPQDAXQIBBOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO2/c1-12-8(11)6-10-4-2-7(9)3-5-10/h7H,2-6H2,1H3.
What are the key properties of methyl 2-(4-bromopiperidin-1-yl)acetate?
methyl 2-(4-bromopiperidin-1-yl)acetate has a molecular weight of 236.11 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromopiperidin-1-yl)acetate is sourced from PubChem (CID 156858791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).