1-[1-(4-bromophenyl)cyclohexyl]piperidine

C17H24BrN — CID 12673464

IUPAC1-[1-(4-bromophenyl)cyclohexyl]piperidine
SMILESBrc1ccc(C2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C17H24BrN/c18-16-9-7-15(8-10-16)17(11-3-1-4-12-17)19-13-5-2-6-14-19/h7-10H,1-6,11-14H2
InChIKeyULASCOMAIDZZIK-UHFFFAOYSA-N
MW322.29 g/mol
LogP5.09
Rot. Bonds2

About 1-[1-(4-bromophenyl)cyclohexyl]piperidine

1-[1-(4-bromophenyl)cyclohexyl]piperidine (PubChem CID 12673464) has the molecular formula C17H24BrN and a molecular weight of 322.29 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)cyclohexyl]piperidine.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)cyclohexyl]piperidine
PubChem CID12673464
Molecular FormulaC17H24BrN
Molecular Weight322.29 g/mol
Exact Mass321.11
IUPAC Name1-[1-(4-bromophenyl)cyclohexyl]piperidine
SMILESBrc1ccc(C2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C17H24BrN/c18-16-9-7-15(8-10-16)17(11-3-1-4-12-17)19-13-5-2-6-14-19/h7-10H,1-6,11-14H2
InChIKeyULASCOMAIDZZIK-UHFFFAOYSA-N
XLogP5.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.29
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)cyclohexyl]piperidine?
The IUPAC name of 1-[1-(4-bromophenyl)cyclohexyl]piperidine (CID 12673464) is 1-[1-(4-bromophenyl)cyclohexyl]piperidine.
What is the SMILES notation for 1-[1-(4-bromophenyl)cyclohexyl]piperidine?
The canonical SMILES for 1-[1-(4-bromophenyl)cyclohexyl]piperidine is Brc1ccc(C2(N3CCCCC3)CCCCC2)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)cyclohexyl]piperidine?
The InChIKey is ULASCOMAIDZZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN/c18-16-9-7-15(8-10-16)17(11-3-1-4-12-17)19-13-5-2-6-14-19/h7-10H,1-6,11-14H2.
What are the key properties of 1-[1-(4-bromophenyl)cyclohexyl]piperidine?
1-[1-(4-bromophenyl)cyclohexyl]piperidine has a molecular weight of 322.29 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)cyclohexyl]piperidine is sourced from PubChem (CID 12673464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).