4-(3-bromophenyl)-3-(2-methylpropyl)piperidine

C15H22BrN — CID 79321198

IUPAC4-(3-bromophenyl)-3-(2-methylpropyl)piperidine
SMILESCC(C)CC1CNCCC1c1cccc(Br)c1
InChIInChI=1S/C15H22BrN/c1-11(2)8-13-10-17-7-6-15(13)12-4-3-5-14(16)9-12/h3-5,9,11,13,15,17H,6-8,10H2,1-2H3
InChIKeyJJUTUCIPMJWBLX-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.19
Rot. Bonds3

About 4-(3-bromophenyl)-3-(2-methylpropyl)piperidine

4-(3-bromophenyl)-3-(2-methylpropyl)piperidine (PubChem CID 79321198) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(2-methylpropyl)piperidine
PubChem CID79321198
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name4-(3-bromophenyl)-3-(2-methylpropyl)piperidine
SMILESCC(C)CC1CNCCC1c1cccc(Br)c1
InChIInChI=1S/C15H22BrN/c1-11(2)8-13-10-17-7-6-15(13)12-4-3-5-14(16)9-12/h3-5,9,11,13,15,17H,6-8,10H2,1-2H3
InChIKeyJJUTUCIPMJWBLX-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(2-methylpropyl)piperidine?
The IUPAC name of 4-(3-bromophenyl)-3-(2-methylpropyl)piperidine (CID 79321198) is 4-(3-bromophenyl)-3-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-(3-bromophenyl)-3-(2-methylpropyl)piperidine?
The canonical SMILES for 4-(3-bromophenyl)-3-(2-methylpropyl)piperidine is CC(C)CC1CNCCC1c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-3-(2-methylpropyl)piperidine?
The InChIKey is JJUTUCIPMJWBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11(2)8-13-10-17-7-6-15(13)12-4-3-5-14(16)9-12/h3-5,9,11,13,15,17H,6-8,10H2,1-2H3.
What are the key properties of 4-(3-bromophenyl)-3-(2-methylpropyl)piperidine?
4-(3-bromophenyl)-3-(2-methylpropyl)piperidine has a molecular weight of 296.25 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-(2-methylpropyl)piperidine is sourced from PubChem (CID 79321198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).