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

3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409416
3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidine
CID 122357463
2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71636519
(3S)-3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 86321717
(3S)-3-[(3-bromo-4-methoxyphenyl)methoxy]piperidine
CID 66245010
3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 56830508
(3R)-3-[(3-methylphenyl)methoxy]pyrrolidine
CID 26191874
3-[(3-bromophenyl)methoxy]cyclohexan-1-one
CID 82826289
(3S)-3-[(4-bromothiophen-2-yl)methoxy]piperidine
CID 66247972
3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride
CID 45075467
3-[(3-bromo-2-fluorophenyl)methoxy]piperidine
CID 146023940
(3S)-3-(thiophen-3-ylmethoxy)piperidine
CID 66247968

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).