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

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Related Compounds

3-(3-bromophenoxy)-N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 24947575
4-(2-Benzylphenoxy)piperidine
CID 23722970
4-[(4-Bromo-phenoxy)-phenyl-methyl]-piperidine
CID 9819594
4-([1,1'-Biphenyl]-2-yloxy)piperidine
CID 17178058
4-[(3-Bromo-phenoxy)-phenyl-methyl]-piperidine
CID 44367704
4-[(3-Fluoro-2-methyl-phenoxy)-phenyl-methyl]-piperidine
CID 44367746
(2S)-2-[(S)-(2-bromophenoxy)-phenylmethyl]morpholine
CID 44579321
(2R)-2-[(S)-(2-bromophenoxy)-phenylmethyl]morpholine
CID 44579322
3-(4-bromophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 73074007
7-Bromospiro[chromene-2,4'-piperidine]
CID 82045795
trans-N-(4-(2-(4-(2-bromo-5-methoxybenzyl)piperidin-1-yl)ethyl)cyclohexyl)-N-ethylamine
CID 23029030
(2r,3r)-2-[alpha-(2-Bromophenoxy)benzyl]morpholine
CID 91060608

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).