2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine

C21H32BrNO — CID 175208324

IUPAC2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine
SMILESBrCC1(OCc2ccccc2)CCCCN1CCC1CCCCC1
InChIInChI=1S/C21H32BrNO/c22-18-21(24-17-20-11-5-2-6-12-20)14-7-8-15-23(21)16-13-19-9-3-1-4-10-19/h2,5-6,11-12,19H,1,3-4,7-10,13-18H2
InChIKeyGIRIGTIWBYTZPT-UHFFFAOYSA-N
MW394.40 g/mol
LogP5.75
Rot. Bonds7

About 2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine

2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine (PubChem CID 175208324) has the molecular formula C21H32BrNO and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine
PubChem CID175208324
Molecular FormulaC21H32BrNO
Molecular Weight394.40 g/mol
Exact Mass393.17
IUPAC Name2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine
SMILESBrCC1(OCc2ccccc2)CCCCN1CCC1CCCCC1
InChIInChI=1S/C21H32BrNO/c22-18-21(24-17-20-11-5-2-6-12-20)14-7-8-15-23(21)16-13-19-9-3-1-4-10-19/h2,5-6,11-12,19H,1,3-4,7-10,13-18H2
InChIKeyGIRIGTIWBYTZPT-UHFFFAOYSA-N
XLogP5.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.40
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(fluoromethyl)-1-(2-phenylethyl)-2-phenylmethoxypiperidine
CID 175215705
1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine
CID 175211247
1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine
CID 175205971
2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine
CID 175407502
2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine
CID 175211251
1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine
CID 175216623
2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine
CID 175211306
2-phenylethylcyclooctane
CID 54073487
tribenzyl cyclohexyl silicate
CID 140793661
[1-(iodomethyl)cyclohexyl]oxymethylbenzene
CID 114772517
benzyl 4-[2-(2-cyclohexylethyldisulfanyl)ethyl]piperidine-1-carboxylate
CID 167631664
1-(3-cyclohexylpropyl)-4-(3-fluoro-4-phenylmethoxyphenyl)piperazine
CID 23111415

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine?
The IUPAC name of 2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine (CID 175208324) is 2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine.
What is the SMILES notation for 2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine?
The canonical SMILES for 2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine is BrCC1(OCc2ccccc2)CCCCN1CCC1CCCCC1.
What is the InChIKey of 2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine?
The InChIKey is GIRIGTIWBYTZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32BrNO/c22-18-21(24-17-20-11-5-2-6-12-20)14-7-8-15-23(21)16-13-19-9-3-1-4-10-19/h2,5-6,11-12,19H,1,3-4,7-10,13-18H2.
What are the key properties of 2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine?
2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine has a molecular weight of 394.40 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine is sourced from PubChem (CID 175208324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).