1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine

C19H22BrNO — CID 69069882

IUPAC1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine
SMILESCC1CN(Cc2ccccc2)CCC1Oc1cccc(Br)c1
InChIInChI=1S/C19H22BrNO/c1-15-13-21(14-16-6-3-2-4-7-16)11-10-19(15)22-18-9-5-8-17(20)12-18/h2-9,12,15,19H,10-11,13-14H2,1H3
InChIKeyMILIUWBHNBBHTO-UHFFFAOYSA-N
MW360.30 g/mol
LogP4.74
Rot. Bonds4

About 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine

1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine (PubChem CID 69069882) has the molecular formula C19H22BrNO and a molecular weight of 360.30 g/mol. Its IUPAC name is 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine.

Molecular Properties

Compound Name1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine
PubChem CID69069882
Molecular FormulaC19H22BrNO
Molecular Weight360.30 g/mol
Exact Mass359.09
IUPAC Name1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine
SMILESCC1CN(Cc2ccccc2)CCC1Oc1cccc(Br)c1
InChIInChI=1S/C19H22BrNO/c1-15-13-21(14-16-6-3-2-4-7-16)11-10-19(15)22-18-9-5-8-17(20)12-18/h2-9,12,15,19H,10-11,13-14H2,1H3
InChIKeyMILIUWBHNBBHTO-UHFFFAOYSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,4R,5S)-2-benzyl-4-(3-bromophenoxy)-2-azabicyclo[3.2.1]octane
CID 150888149
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
1-[(3-bromophenyl)methyl]-3-chloropyrrolidine
CID 63387822
(3S)-1-[(3-bromophenyl)methyl]-3-methoxypyrrolidine
CID 172647705
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119925173
1-[[4-(3-bromophenoxy)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 122036328
(3S,4R)-1-benzyl-3-methyl-4-[2-propoxy-4-(trifluoromethyl)phenoxy]piperidine
CID 67135728
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
(2S)-N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2-(3-bromophenoxy)propanamide
CID 97064191
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
(3R,4S)-1-benzyl-3-methylpiperidine-4-carbaldehyde
CID 87248357

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine?
The IUPAC name of 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine (CID 69069882) is 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine.
What is the SMILES notation for 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine?
The canonical SMILES for 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine is CC1CN(Cc2ccccc2)CCC1Oc1cccc(Br)c1.
What is the InChIKey of 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine?
The InChIKey is MILIUWBHNBBHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO/c1-15-13-21(14-16-6-3-2-4-7-16)11-10-19(15)22-18-9-5-8-17(20)12-18/h2-9,12,15,19H,10-11,13-14H2,1H3.
What are the key properties of 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine?
1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine has a molecular weight of 360.30 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine is sourced from PubChem (CID 69069882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).