methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate

C14H18BrNO2 — CID 79833485

IUPACmethyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1ccccc1Br
InChIInChI=1S/C14H18BrNO2/c1-18-14(17)13-8-4-5-9-16(13)10-11-6-2-3-7-12(11)15/h2-3,6-7,13H,4-5,8-10H2,1H3/t13-/m1/s1
InChIKeyLMVZCPDOBKVZHH-CYBMUJFWSA-N
MW312.21 g/mol
LogP2.98
Rot. Bonds3

About methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate

methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate (PubChem CID 79833485) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate
PubChem CID79833485
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Namemethyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1ccccc1Br
InChIInChI=1S/C14H18BrNO2/c1-18-14(17)13-8-4-5-9-16(13)10-11-6-2-3-7-12(11)15/h2-3,6-7,13H,4-5,8-10H2,1H3/t13-/m1/s1
InChIKeyLMVZCPDOBKVZHH-CYBMUJFWSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl (2R)-1-[(2-nitrophenyl)methyl]piperidine-2-carboxylate
CID 79833556
methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate
CID 113219671
(2R)-1-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 170899024
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 75833581
methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate
CID 115537863
methyl 1-[(3-cyano-2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 103911994
methyl 1-(2,1,3-benzothiadiazol-4-ylmethyl)piperidine-2-carboxylate
CID 75428183
methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 55075318
methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate
CID 78992339
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 62028427

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate (CID 79833485) is methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1Cc1ccccc1Br.
What is the InChIKey of methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate?
The InChIKey is LMVZCPDOBKVZHH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-18-14(17)13-8-4-5-9-16(13)10-11-6-2-3-7-12(11)15/h2-3,6-7,13H,4-5,8-10H2,1H3/t13-/m1/s1.
What are the key properties of methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate?
methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate has a molecular weight of 312.21 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 79833485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).