2-[1-[4-bromo-2-(methoxymethyl)phenyl]ethyl]piperidine

C15H22BrNO — CID 174655929

IUPAC2-[1-[4-bromo-2-(methoxymethyl)phenyl]ethyl]piperidine
SMILESCOCc1cc(Br)ccc1C(C)C1CCCCN1
InChIInChI=1S/C15H22BrNO/c1-11(15-5-3-4-8-17-15)14-7-6-13(16)9-12(14)10-18-2/h6-7,9,11,15,17H,3-5,8,10H2,1-2H3
InChIKeyRLDVPXYWPVEPSO-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.84
Rot. Bonds4

About 2-[1-[4-bromo-2-(methoxymethyl)phenyl]ethyl]piperidine

2-[1-[4-bromo-2-(methoxymethyl)phenyl]ethyl]piperidine (PubChem CID 174655929) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-[1-[4-bromo-2-(methoxymethyl)phenyl]ethyl]piperidine.

Molecular Properties

Compound Name2-[1-[4-bromo-2-(methoxymethyl)phenyl]ethyl]piperidine
PubChem CID174655929
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-[1-[4-bromo-2-(methoxymethyl)phenyl]ethyl]piperidine
SMILESCOCc1cc(Br)ccc1C(C)C1CCCCN1
InChIInChI=1S/C15H22BrNO/c1-11(15-5-3-4-8-17-15)14-7-6-13(16)9-12(14)10-18-2/h6-7,9,11,15,17H,3-5,8,10H2,1-2H3
InChIKeyRLDVPXYWPVEPSO-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-bromo-2-(methoxymethyl)phenyl]piperidine
CID 117457372
2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine
CID 145138586
1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951206
2-[fluoro-(4-methoxy-2-methylphenyl)methyl]piperidine
CID 106635068
1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622422
2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine
CID 106640462
2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol
CID 106634576
(4-bromophenyl)-piperidin-2-ylmethanamine
CID 116935638
N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211100
2-(5-bromo-2-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547520
(2R)-2-(5-bromo-2-ethoxyphenyl)piperidine
CID 42579904
2-(2,4-dimethylphenyl)-2-piperidin-2-ylethanamine
CID 83986431

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-bromo-2-(methoxymethyl)phenyl]ethyl]piperidine?
The IUPAC name of 2-[1-[4-bromo-2-(methoxymethyl)phenyl]ethyl]piperidine (CID 174655929) is 2-[1-[4-bromo-2-(methoxymethyl)phenyl]ethyl]piperidine.
What is the SMILES notation for 2-[1-[4-bromo-2-(methoxymethyl)phenyl]ethyl]piperidine?
The canonical SMILES for 2-[1-[4-bromo-2-(methoxymethyl)phenyl]ethyl]piperidine is COCc1cc(Br)ccc1C(C)C1CCCCN1.
What is the InChIKey of 2-[1-[4-bromo-2-(methoxymethyl)phenyl]ethyl]piperidine?
The InChIKey is RLDVPXYWPVEPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11(15-5-3-4-8-17-15)14-7-6-13(16)9-12(14)10-18-2/h6-7,9,11,15,17H,3-5,8,10H2,1-2H3.
What are the key properties of 2-[1-[4-bromo-2-(methoxymethyl)phenyl]ethyl]piperidine?
2-[1-[4-bromo-2-(methoxymethyl)phenyl]ethyl]piperidine has a molecular weight of 312.25 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-bromo-2-(methoxymethyl)phenyl]ethyl]piperidine is sourced from PubChem (CID 174655929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).