3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride

C24H25BrClNO — CID 67544762

IUPAC3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride
SMILESBrc1ccc(COC2CNCCC2c2cccc(-c3ccccc3)c2)cc1.Cl
InChIInChI=1S/C24H24BrNO.ClH/c25-22-11-9-18(10-12-22)17-27-24-16-26-14-13-23(24)21-8-4-7-20(15-21)19-5-2-1-3-6-19;/h1-12,15,23-24,26H,13-14,16-17H2;1H
InChIKeySHBXXSLWWZKDIW-UHFFFAOYSA-N
MW458.83 g/mol
LogP6.20
Rot. Bonds5

About 3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride

3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride (PubChem CID 67544762) has the molecular formula C24H25BrClNO and a molecular weight of 458.83 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride
PubChem CID67544762
Molecular FormulaC24H25BrClNO
Molecular Weight458.83 g/mol
Exact Mass457.08
IUPAC Name3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride
SMILESBrc1ccc(COC2CNCCC2c2cccc(-c3ccccc3)c2)cc1.Cl
InChIInChI=1S/C24H24BrNO.ClH/c25-22-11-9-18(10-12-22)17-27-24-16-26-14-13-23(24)21-8-4-7-20(15-21)19-5-2-1-3-6-19;/h1-12,15,23-24,26H,13-14,16-17H2;1H
InChIKeySHBXXSLWWZKDIW-UHFFFAOYSA-N
XLogP6.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.83
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride
CID 67543801
(3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride
CID 67542732
3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride
CID 67545240
4-(3-methylphenyl)-3-phenylmethoxypiperidine
CID 21193252
(3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine
CID 59382334
(3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine
CID 59674730
N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride
CID 67542525
3-[(4-methoxyphenyl)methoxy]-4-phenylpiperidine
CID 22127654
4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 67542141
[3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol
CID 70130180
4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine
CID 57115568
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine
CID 100967460

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride?
The IUPAC name of 3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride (CID 67544762) is 3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride is Brc1ccc(COC2CNCCC2c2cccc(-c3ccccc3)c2)cc1.Cl.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride?
The InChIKey is SHBXXSLWWZKDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO.ClH/c25-22-11-9-18(10-12-22)17-27-24-16-26-14-13-23(24)21-8-4-7-20(15-21)19-5-2-1-3-6-19;/h1-12,15,23-24,26H,13-14,16-17H2;1H.
What are the key properties of 3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride?
3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride has a molecular weight of 458.83 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride is sourced from PubChem (CID 67544762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).