3-[(3-bromophenyl)methoxy]piperidine

C12H16BrNO — CID 53409415

IUPAC3-[(3-bromophenyl)methoxy]piperidine
SMILESBrc1cccc(COC2CCCNC2)c1
InChIInChI=1S/C12H16BrNO/c13-11-4-1-3-10(7-11)9-15-12-5-2-6-14-8-12/h1,3-4,7,12,14H,2,5-6,8-9H2
InChIKeyYAAPIEFXFHVHJX-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.72
Rot. Bonds3

About 3-[(3-bromophenyl)methoxy]piperidine

3-[(3-bromophenyl)methoxy]piperidine (PubChem CID 53409415) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]piperidine.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]piperidine
PubChem CID53409415
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-[(3-bromophenyl)methoxy]piperidine
SMILESBrc1cccc(COC2CCCNC2)c1
InChIInChI=1S/C12H16BrNO/c13-11-4-1-3-10(7-11)9-15-12-5-2-6-14-8-12/h1,3-4,7,12,14H,2,5-6,8-9H2
InChIKeyYAAPIEFXFHVHJX-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenylmorpholine
CID 91101
5,5-Dimethyl-2-phenylmorpholine
CID 97711
4-(Benzyloxy)piperidine
CID 3157460
4-(3-Bromo-5-methyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10669293
3-(4-Bromo-benzyloxy)-4-phenyl-piperidine
CID 44367995
(2S,3S)-2-(3-bromophenyl)-3,5,5-trimethylmorpholin-2-ol
CID 46837649
2-Phenylmorpholine hydrochloride
CID 12343539
2-[4-[(2-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine
CID 134134884
2-[4-[(4-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine
CID 134148531
2-[4-[(3-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine
CID 134157655
2-Phenyl-3,6-dimethylmorpholine
CID 43174741
2-(4-Bromophenyl)morpholine
CID 14425822

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]piperidine?
The IUPAC name of 3-[(3-bromophenyl)methoxy]piperidine (CID 53409415) is 3-[(3-bromophenyl)methoxy]piperidine.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]piperidine?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]piperidine is Brc1cccc(COC2CCCNC2)c1.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]piperidine?
The InChIKey is YAAPIEFXFHVHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-11-4-1-3-10(7-11)9-15-12-5-2-6-14-8-12/h1,3-4,7,12,14H,2,5-6,8-9H2.
What are the key properties of 3-[(3-bromophenyl)methoxy]piperidine?
3-[(3-bromophenyl)methoxy]piperidine has a molecular weight of 270.17 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxy]piperidine is sourced from PubChem (CID 53409415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).