4-(2-bromoethoxy)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine

C14H18BrClFNO — CID 103050043

IUPAC4-(2-bromoethoxy)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine
SMILESFc1ccc(Cl)cc1CN1CCC(OCCBr)CC1
InChIInChI=1S/C14H18BrClFNO/c15-5-8-19-13-3-6-18(7-4-13)10-11-9-12(16)1-2-14(11)17/h1-2,9,13H,3-8,10H2
InChIKeyOPCRRYLLSWXFES-UHFFFAOYSA-N
MW350.66 g/mol
LogP3.86
Rot. Bonds5

About 4-(2-bromoethoxy)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine

4-(2-bromoethoxy)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine (PubChem CID 103050043) has the molecular formula C14H18BrClFNO and a molecular weight of 350.66 g/mol. Its IUPAC name is 4-(2-bromoethoxy)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-bromoethoxy)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine
PubChem CID103050043
Molecular FormulaC14H18BrClFNO
Molecular Weight350.66 g/mol
Exact Mass349.02
IUPAC Name4-(2-bromoethoxy)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine
SMILESFc1ccc(Cl)cc1CN1CCC(OCCBr)CC1
InChIInChI=1S/C14H18BrClFNO/c15-5-8-19-13-3-6-18(7-4-13)10-11-9-12(16)1-2-14(11)17/h1-2,9,13H,3-8,10H2
InChIKeyOPCRRYLLSWXFES-UHFFFAOYSA-N
XLogP3.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.66
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 114858092
3-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 114851329
3-[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 81490932
3-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63905518
3-[1-[(2-bromo-5-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 66157692
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-yl]acetonitrile
CID 117044806
3-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-yl]propanoic acid
CID 114866899
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 114858032
1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine
CID 114857925
3-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]phenol
CID 82701584
1-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)azetidine
CID 130531144
2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]pyrimidine
CID 82691618

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethoxy)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine?
The IUPAC name of 4-(2-bromoethoxy)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine (CID 103050043) is 4-(2-bromoethoxy)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-(2-bromoethoxy)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine?
The canonical SMILES for 4-(2-bromoethoxy)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine is Fc1ccc(Cl)cc1CN1CCC(OCCBr)CC1.
What is the InChIKey of 4-(2-bromoethoxy)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine?
The InChIKey is OPCRRYLLSWXFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClFNO/c15-5-8-19-13-3-6-18(7-4-13)10-11-9-12(16)1-2-14(11)17/h1-2,9,13H,3-8,10H2.
What are the key properties of 4-(2-bromoethoxy)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine?
4-(2-bromoethoxy)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine has a molecular weight of 350.66 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethoxy)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 103050043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).