4-[3-[4-(3-bromo-2-methylphenoxy)cyclohexyl]propyl]piperidine

C21H32BrNO — CID 170321215

IUPAC4-[3-[4-(3-bromo-2-methylphenoxy)cyclohexyl]propyl]piperidine
SMILESCc1c(Br)cccc1OC1CCC(CCCC2CCNCC2)CC1
InChIInChI=1S/C21H32BrNO/c1-16-20(22)6-3-7-21(16)24-19-10-8-17(9-11-19)4-2-5-18-12-14-23-15-13-18/h3,6-7,17-19,23H,2,4-5,8-15H2,1H3
InChIKeyFAQXGQNXCAQMSF-UHFFFAOYSA-N
MW394.40 g/mol
LogP5.87
Rot. Bonds6

About 4-[3-[4-(3-bromo-2-methylphenoxy)cyclohexyl]propyl]piperidine

4-[3-[4-(3-bromo-2-methylphenoxy)cyclohexyl]propyl]piperidine (PubChem CID 170321215) has the molecular formula C21H32BrNO and a molecular weight of 394.40 g/mol. Its IUPAC name is 4-[3-[4-(3-bromo-2-methylphenoxy)cyclohexyl]propyl]piperidine.

Molecular Properties

Compound Name4-[3-[4-(3-bromo-2-methylphenoxy)cyclohexyl]propyl]piperidine
PubChem CID170321215
Molecular FormulaC21H32BrNO
Molecular Weight394.40 g/mol
Exact Mass393.17
IUPAC Name4-[3-[4-(3-bromo-2-methylphenoxy)cyclohexyl]propyl]piperidine
SMILESCc1c(Br)cccc1OC1CCC(CCCC2CCNCC2)CC1
InChIInChI=1S/C21H32BrNO/c1-16-20(22)6-3-7-21(16)24-19-10-8-17(9-11-19)4-2-5-18-12-14-23-15-13-18/h3,6-7,17-19,23H,2,4-5,8-15H2,1H3
InChIKeyFAQXGQNXCAQMSF-UHFFFAOYSA-N
XLogP5.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.40
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3-[4-(3-bromo-2-methylphenoxy)cyclohexyl]propyl]piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(3-bromo-2-methylphenoxy)cyclohexyl]propyl]piperidine?
The IUPAC name of 4-[3-[4-(3-bromo-2-methylphenoxy)cyclohexyl]propyl]piperidine (CID 170321215) is 4-[3-[4-(3-bromo-2-methylphenoxy)cyclohexyl]propyl]piperidine.
What is the SMILES notation for 4-[3-[4-(3-bromo-2-methylphenoxy)cyclohexyl]propyl]piperidine?
The canonical SMILES for 4-[3-[4-(3-bromo-2-methylphenoxy)cyclohexyl]propyl]piperidine is Cc1c(Br)cccc1OC1CCC(CCCC2CCNCC2)CC1.
What is the InChIKey of 4-[3-[4-(3-bromo-2-methylphenoxy)cyclohexyl]propyl]piperidine?
The InChIKey is FAQXGQNXCAQMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32BrNO/c1-16-20(22)6-3-7-21(16)24-19-10-8-17(9-11-19)4-2-5-18-12-14-23-15-13-18/h3,6-7,17-19,23H,2,4-5,8-15H2,1H3.
What are the key properties of 4-[3-[4-(3-bromo-2-methylphenoxy)cyclohexyl]propyl]piperidine?
4-[3-[4-(3-bromo-2-methylphenoxy)cyclohexyl]propyl]piperidine has a molecular weight of 394.40 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(3-bromo-2-methylphenoxy)cyclohexyl]propyl]piperidine is sourced from PubChem (CID 170321215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).